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255
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2
2
6.4641
4.3301
3.3301
3.9641
6.3301
5.8301
5.4641
4.3301
6.3301
7.1962
5.4641
7.1962
5.4641
6.3301
5.4641
5.4641
7.1962
4.9641
4.5981
6.4641
6.9641
8.0622
7.1962
4.8301
3.732
4.5981
4.9641
8.9282
8.0622
4.8301
3.3301
8.9282
2.866
3.732
2.8301
4.3301
5.4641
2.866
4.9641
6.4641
5.4641
6.9641
6.4641
7.8067
7.4082
5.252
4.8535
7.4082
7.8067
4.8535
5.252
6.5422
6.9407
5.252
4.8535
5.8301
4.4892
4.4892
6.3564
7.0467
7.439
7.439
8.0622
6.6592
3.732
5.135
9.4651
8.0622
2.7475
3.4378
5.3051
5.3051
9.4651
3.732
4.9127
4.2225
2.3552
2.3552
4.3441
6.7741
5.1541
7.5841
6.7741
-1.384
0.616
-1.384
3.116
6.5801
-3.982
1.116
3.982
-3.116
4.8481
3.116
2.616
2.616
1.616
1.616
0.116
-1.384
-0.384
3.616
-2.25
-0.884
-3.116
-2.25
3.116
4.616
3.982
-1.384
0.116
-3.982
3.616
5.116
5.7141
4.8481
4.616
-0.884
0.616
5.7141
6.5801
-4.8481
0.116
-5.7141
-4.8481
-6.5801
-5.7141
-6.5801
2.5084
3.1986
3.1986
2.5084
1.0334
1.7237
1.7237
1.0334
-0.4666
0.2237
0.1986
-0.4916
4.602
-1.8515
-2.6485
-3.7266
-3.3281
-2.6485
-1.8515
2.496
4.926
-2.004
0.426
3.306
5.736
4.636
4.2375
5.3156
6.1126
4.926
1.236
6.7922
7.1907
6.1126
5.3156
-5.7141
-4.3111
-7.1171
-5.7141
-7.1171
3
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
979
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F07FB8000600000000000000000000000000000000003C78F1020000000000015000001E02100000000CCEE19826310083C00400880221521000820000240500088A41080EC88A263281F7198731086ED60398A98798C8E08E84000020000000040800004000000008000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenyl-4-piperidyl]morpholine-4-carboxamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-4-phenyl-4-piperidinyl]-4-morpholinecarboxamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[1-[2-[2-(3,4-dichlorophenyl)-4-(phenylcarbonyl)morpholin-2-yl]ethyl]-4-phenyl-piperidin-4-yl]morpholine-4-carboxamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenyl-4-piperidyl]morpholine-4-carboxamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C35H40Cl2N4O4/c36-30-12-11-29(25-31(30)37)35(26-41(21-24-45-35)32(42)27-7-3-1-4-8-27)15-18-39-16-13-34(14-17-39,28-9-5-2-6-10-28)38-33(43)40-19-22-44-23-20-40/h1-12,25H,13-24,26H2,(H,38,43)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
LAZGVHSGPPDOQC-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
650.242661
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C35H40Cl2N4O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
651.6225
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
C1CN(CCC1(C2=CC=CC=C2)NC(=O)N3CCOCC3)CCC4(CN(CCO4)C(=O)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
C1CN(CCC1(C2=CC=CC=C2)NC(=O)N3CCOCC3)CCC4(CN(CCO4)C(=O)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
74.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
650.242661
45
1
0
1
0
0
0
0
1
2