3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide

C19H19ClN2O2 — CID 110394499

IUPAC3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(c1ccccc1)C1CCCN(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C19H19ClN2O2/c20-16-9-4-10-17(12-16)21-19(24)22-11-5-8-15(13-22)18(23)14-6-2-1-3-7-14/h1-4,6-7,9-10,12,15H,5,8,11,13H2,(H,21,24)
InChIKeyQMSVCDDOVSOEHH-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.47
Rot. Bonds3

About 3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide

3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide (PubChem CID 110394499) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is 3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
PubChem CID110394499
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Name3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
SMILESO=C(c1ccccc1)C1CCCN(C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C19H19ClN2O2/c20-16-9-4-10-17(12-16)21-19(24)22-11-5-8-15(13-22)18(23)14-6-2-1-3-7-14/h1-4,6-7,9-10,12,15H,5,8,11,13H2,(H,21,24)
InChIKeyQMSVCDDOVSOEHH-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
(3R)-3-(3-chlorobenzoyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 25385725
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
2-benzoyl-N-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 110357668
(3R)-N-benzyl-3-(3-chlorobenzoyl)piperidine-1-carboxamide
CID 42462168
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
N-(3-chlorophenyl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 17445680
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
4-(1-benzamido-2-oxo-2-piperidin-1-ylethyl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 46020584
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
methyl 2-[[3-(3-chlorobenzoyl)piperidine-1-carbonyl]amino]benzoate
CID 45169004

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of 3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide (CID 110394499) is 3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide is O=C(c1ccccc1)C1CCCN(C(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of 3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is QMSVCDDOVSOEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c20-16-9-4-10-17(12-16)21-19(24)22-11-5-8-15(13-22)18(23)14-6-2-1-3-7-14/h1-4,6-7,9-10,12,15H,5,8,11,13H2,(H,21,24).
What are the key properties of 3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide?
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 342.83 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 110394499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).