N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide

C15H21ClN2O — CID 62212576

IUPACN-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O/c16-14-4-2-1-3-13(14)11-18-15(19)6-5-12-7-9-17-10-8-12/h1-4,12,17H,5-11H2,(H,18,19)
InChIKeyIFUYAVDWCZDIOP-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.74
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide

N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide (PubChem CID 62212576) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
PubChem CID62212576
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
SMILESO=C(CCC1CCNCC1)NCc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O/c16-14-4-2-1-3-13(14)11-18-15(19)6-5-12-7-9-17-10-8-12/h1-4,12,17H,5-11H2,(H,18,19)
InChIKeyIFUYAVDWCZDIOP-UHFFFAOYSA-N
XLogP2.74
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide
CID 62210178
N-[(2-chlorophenyl)methylcarbamoyl]piperidine-4-carboxamide
CID 108897742
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978
N-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-4-ylpropanamide
CID 62211455
N-[2-(2-fluorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62211196
3-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 17126907
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 81379365
N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide
CID 45228946
2-[azepan-4-yl(methyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 104979568
N-[(2-chlorophenyl)methyl]-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 55170845
N-[2-(2,4-dichlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62211031
3-cyclopentyl-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110902468

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide (CID 62212576) is N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide is O=C(CCC1CCNCC1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide?
The InChIKey is IFUYAVDWCZDIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c16-14-4-2-1-3-13(14)11-18-15(19)6-5-12-7-9-17-10-8-12/h1-4,12,17H,5-11H2,(H,18,19).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide?
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide has a molecular weight of 280.80 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62212576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).