CID 44747723
PubChem CID
44747723
Structure
Molecular Formula
Status
Non-live
Molecular Weight
422.6 g/mol
Dates
- Create:2010-03-14
Chemical Structure Depiction
N-[(1-butylpiperidin-4-yl)methyl]-2-(3-methoxypropanoyl)-2,8-diazaspiro[4.5]decane-4-carboxamide
InChI=1S/C23H42N4O3/c1-3-4-12-26-13-5-19(6-14-26)16-25-22(29)20-17-27(21(28)7-15-30-2)18-23(20)8-10-24-11-9-23/h19-20,24H,3-18H2,1-2H3,(H,25,29)
LSAZJDWCEVABPT-UHFFFAOYSA-N
CCCCN1CCC(CC1)CNC(=O)C2CN(CC23CCNCC3)C(=O)CCOC
C23H42N4O3
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
422.6 g/mol
Property Name
XLogP3-AA
Property Value
0.8
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
9
Property Name
Exact Mass
Property Value
422.32569121 g/mol
Property Name
Monoisotopic Mass
Property Value
422.32569121 g/mol
Property Name
Topological Polar Surface Area
Property Value
73.9 A^2
Property Name
Heavy Atom Count
Property Value
30
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
557
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS