N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide

C17H25ClN2O — CID 62211240

IUPACN-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide
SMILESCCC(NC(=O)CCC1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-2-16(14-4-6-15(18)7-5-14)20-17(21)8-3-13-9-11-19-12-10-13/h4-7,13,16,19H,2-3,8-12H2,1H3,(H,20,21)
InChIKeySUXHYVWXPAERQZ-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.69
Rot. Bonds6

About N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide

N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide (PubChem CID 62211240) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide
PubChem CID62211240
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide
SMILESCCC(NC(=O)CCC1CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H25ClN2O/c1-2-16(14-4-6-15(18)7-5-14)20-17(21)8-3-13-9-11-19-12-10-13/h4-7,13,16,19H,2-3,8-12H2,1H3,(H,20,21)
InChIKeySUXHYVWXPAERQZ-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[1-(4-chlorophenyl)propyl]propanamide;hydrochloride
CID 119276743
N-[1-(4-methoxyphenyl)propyl]-2-piperidin-4-ylacetamide
CID 61029711
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-3-cyclohexylpropanamide
CID 110278624
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354078
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-4-ylacetamide
CID 81354394
5-bromo-N-[1-(4-chlorophenyl)propyl]pentanamide
CID 107908718
N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide
CID 63121965
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 81379365
N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62212277
N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 124517249
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
CID 103870984

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide (CID 62211240) is N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide is CCC(NC(=O)CCC1CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide?
The InChIKey is SUXHYVWXPAERQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-2-16(14-4-6-15(18)7-5-14)20-17(21)8-3-13-9-11-19-12-10-13/h4-7,13,16,19H,2-3,8-12H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide?
N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide has a molecular weight of 308.85 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62211240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).