CID 47306981
PubChem CID
47306981
Structure
Molecular Formula
Status
Non-live
Molecular Weight
256.34 g/mol
Dates
- Create:2010-11-26
Chemical Structure Depiction
N-butyl-3-[(carbamoylamino)methyl]piperidine-1-carboxamide
InChI=1S/C12H24N4O2/c1-2-3-6-14-12(18)16-7-4-5-10(9-16)8-15-11(13)17/h10H,2-9H2,1H3,(H,14,18)(H3,13,15,17)
CMTDEYIISOILTG-UHFFFAOYSA-N
CCCCNC(=O)N1CCCC(C1)CNC(=O)N
C12H24N4O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
256.34 g/mol
Property Name
XLogP3-AA
Property Value
0.3
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
256.18992602 g/mol
Property Name
Monoisotopic Mass
Property Value
256.18992602 g/mol
Property Name
Topological Polar Surface Area
Property Value
87.5 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
283
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