3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide

C21H23ClN2O2 — CID 33215010

IUPAC3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
SMILESO=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H23ClN2O2/c22-18-7-4-8-19(15-18)23-20(25)11-14-24-12-9-17(10-13-24)21(26)16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,23,25)
InChIKeyPKWQUAXQJGBREJ-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.26
Rot. Bonds6

About 3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide

3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide (PubChem CID 33215010) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
PubChem CID33215010
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC Name3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide
SMILESO=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1cccc(Cl)c1
InChIInChI=1S/C21H23ClN2O2/c22-18-7-4-8-19(15-18)23-20(25)11-14-24-12-9-17(10-13-24)21(26)16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,23,25)
InChIKeyPKWQUAXQJGBREJ-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N-(4-acetylphenyl)-3-(4-benzoylpiperidin-1-yl)propanamide
CID 33215029
3-(4-benzoylpiperidin-1-yl)-N-naphthalen-1-ylpropanamide
CID 33215004
N-(3-chlorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide;hydrochloride
CID 19661841
N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 55864910
3-[(3R)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)propanamide;hydrochloride
CID 119905402
3-(4-benzoylpiperidin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 33215032
N-(3-chlorophenyl)-3-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]propanamide
CID 124749868
3-[3-(azepan-1-yl)propanoylamino]benzoic acid
CID 53215946
N-[1-[3-(3-chloroanilino)-3-oxopropyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47549626
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-chlorophenyl)propanamide
CID 55482910

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide?
The IUPAC name of 3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide (CID 33215010) is 3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide.
What is the SMILES notation for 3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide?
The canonical SMILES for 3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide is O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide?
The InChIKey is PKWQUAXQJGBREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c22-18-7-4-8-19(15-18)23-20(25)11-14-24-12-9-17(10-13-24)21(26)16-5-2-1-3-6-16/h1-8,15,17H,9-14H2,(H,23,25).
What are the key properties of 3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide?
3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide has a molecular weight of 370.88 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzoylpiperidin-1-yl)-N-(3-chlorophenyl)propanamide is sourced from PubChem (CID 33215010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).