N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide

C16H19ClN2O2 — CID 24816739

IUPACN-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C16H19ClN2O2/c17-13-3-1-2-11(8-13)9-18-16(21)12-4-7-15(20)19(10-12)14-5-6-14/h1-3,8,12,14H,4-7,9-10H2,(H,18,21)
InChIKeyOTRSMDRGBYIBIK-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.36
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide (PubChem CID 24816739) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
PubChem CID24816739
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC NameN-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C16H19ClN2O2/c17-13-3-1-2-11(8-13)9-18-16(21)12-4-7-15(20)19(10-12)14-5-6-14/h1-3,8,12,14H,4-7,9-10H2,(H,18,21)
InChIKeyOTRSMDRGBYIBIK-UHFFFAOYSA-N
XLogP2.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Uamc00039
CID 11232124
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
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m-Chlorobenzylamide, 7
CID 44237086
Tert-Butyl {(3s,5r)-5-[cyclopropyl(2,3-Dichlorobenzyl)carbamoyl]piperidin-3-Yl}carbamate
CID 78350457
N-(3-chlorobenzyl)-1-(4-methylpentanoyl)-L-prolinamide
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(S)-2-Amino-4-[(4-chloro-benzyl)-methyl-amino]-1-piperidin-1-yl-butan-1-one
CID 10019118
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-fluoro-piperidin-1-yl)-butan-1-one
CID 11450265
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(3-fluoro-piperidin-1-yl)-butan-1-one
CID 11450266
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
1-(3-Chloro-benzoyl)-piperidine-4-carboxylic acid cyclopentylamide
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1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide (CID 24816739) is N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide?
The InChIKey is OTRSMDRGBYIBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-13-3-1-2-11(8-13)9-18-16(21)12-4-7-15(20)19(10-12)14-5-6-14/h1-3,8,12,14H,4-7,9-10H2,(H,18,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24816739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).