N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide

C13H15ClN2O2 — CID 110682146

IUPACN-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCNC(=O)C1
InChIInChI=1S/C13H15ClN2O2/c1-8-6-10(14)2-3-11(8)16-13(18)9-4-5-15-12(17)7-9/h2-3,6,9H,4-5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyXEVBDZOSPBYANK-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.11
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide

N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide (PubChem CID 110682146) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
PubChem CID110682146
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CCNC(=O)C1
InChIInChI=1S/C13H15ClN2O2/c1-8-6-10(14)2-3-11(8)16-13(18)9-4-5-15-12(17)7-9/h2-3,6,9H,4-5,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyXEVBDZOSPBYANK-UHFFFAOYSA-N
XLogP2.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-oxopiperidine-4-carboxamide
CID 110682207
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674
N-(3-chloro-4-methylphenyl)-2-oxopiperidine-4-carboxamide
CID 110682147
(1R)-N-(4-chloro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8780243
4-N-(4-chloro-2-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144375
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
4-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 109150231
N-(4-chloro-2-methylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027098
N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 79040523
N-(4-chloro-2-methylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687350
1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469
4-N-(4-chloro-2-methylphenyl)-1-N-pentylcyclohexane-1,4-dicarboxamide
CID 109149846

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide (CID 110682146) is N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1CCNC(=O)C1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide?
The InChIKey is XEVBDZOSPBYANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-6-10(14)2-3-11(8)16-13(18)9-4-5-15-12(17)7-9/h2-3,6,9H,4-5,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-oxopiperidine-4-carboxamide is sourced from PubChem (CID 110682146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).