N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide

C15H18ClN3O — CID 62210704

IUPACN-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide
SMILESN#Cc1cc(NC(=O)CCC2CCNCC2)ccc1Cl
InChIInChI=1S/C15H18ClN3O/c16-14-3-2-13(9-12(14)10-17)19-15(20)4-1-11-5-7-18-8-6-11/h2-3,9,11,18H,1,4-8H2,(H,19,20)
InChIKeyJLFISJAIPJYJEM-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.93
Rot. Bonds4

About N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide

N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide (PubChem CID 62210704) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide
PubChem CID62210704
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide
SMILESN#Cc1cc(NC(=O)CCC2CCNCC2)ccc1Cl
InChIInChI=1S/C15H18ClN3O/c16-14-3-2-13(9-12(14)10-17)19-15(20)4-1-11-5-7-18-8-6-11/h2-3,9,11,18H,1,4-8H2,(H,19,20)
InChIKeyJLFISJAIPJYJEM-UHFFFAOYSA-N
XLogP2.93
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-nitrophenyl)-3-piperidin-4-ylpropanamide
CID 82865757
N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 82016419
N-(3,4-dicyanophenyl)-3-piperidin-3-ylpropanamide
CID 107790601
N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide
CID 107680294
N-(4-chloro-3-cyanophenyl)pyrrolidine-3-carboxamide
CID 63005956
4-chloro-3-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210412
N-(3,5-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 62210143
N-(2,4-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 62210490
3-piperidin-4-yl-N-quinoxalin-6-ylpropanamide
CID 62211768
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978
2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210193

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide (CID 62210704) is N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide is N#Cc1cc(NC(=O)CCC2CCNCC2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is JLFISJAIPJYJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-14-3-2-13(9-12(14)10-17)19-15(20)4-1-11-5-7-18-8-6-11/h2-3,9,11,18H,1,4-8H2,(H,19,20).
What are the key properties of N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide?
N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 291.78 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-cyanophenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62210704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).