N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide

C14H17ClN2O2 — CID 146135205

IUPACN-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide
SMILESCc1cc(NC(=O)CC2CCCC(=O)N2)ccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-9-7-11(5-6-12(9)15)17-14(19)8-10-3-2-4-13(18)16-10/h5-7,10H,2-4,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyLSVBCWBWTKWHQF-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.65
Rot. Bonds3

About N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide

N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide (PubChem CID 146135205) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide
PubChem CID146135205
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide
SMILESCc1cc(NC(=O)CC2CCCC(=O)N2)ccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-9-7-11(5-6-12(9)15)17-14(19)8-10-3-2-4-13(18)16-10/h5-7,10H,2-4,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyLSVBCWBWTKWHQF-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(6-oxopiperidin-2-yl)acetamide
CID 146132092
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651
N-(4-chloro-3-fluorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708349
N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide
CID 155952939
3-bromo-N-(4-chloro-3-methylphenyl)propanamide
CID 82110631
(2S)-N-(4-acetyl-3-methylphenyl)-6-oxopiperidine-2-carboxamide
CID 125136193
methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830
N-(4-chloro-3-methylphenyl)-2-piperazin-1-ylacetamide
CID 45032288
N-(4-chloro-3-methylphenyl)-2-[methyl(thian-4-yl)amino]acetamide
CID 91843440
N-[2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]-2-(6-oxopiperidin-2-yl)acetamide
CID 154782897
N-(4-chloro-3-methylphenyl)-2-[4-(2-methoxyethoxy)piperidin-1-yl]acetamide
CID 135106562
N-(4-chloro-3-hydroxyphenyl)-2-cyclopentylacetamide
CID 64788662

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide?
The IUPAC name of N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide (CID 146135205) is N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide.
What is the SMILES notation for N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide?
The canonical SMILES for N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide is Cc1cc(NC(=O)CC2CCCC(=O)N2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide?
The InChIKey is LSVBCWBWTKWHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-7-11(5-6-12(9)15)17-14(19)8-10-3-2-4-13(18)16-10/h5-7,10H,2-4,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide?
N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide has a molecular weight of 280.75 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-methylphenyl)-2-(6-oxopiperidin-2-yl)acetamide is sourced from PubChem (CID 146135205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).