5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one

C13H17ClN2O — CID 106862663

IUPAC5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
SMILESCc1ccc(CNC2CCC(=O)NC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9-2-3-10(12(14)6-9)7-15-11-4-5-13(17)16-8-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyNTBZDCWDYCKKKF-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.02
Rot. Bonds3

About 5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one

5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one (PubChem CID 106862663) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one.

Molecular Properties

Compound Name5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
PubChem CID106862663
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one
SMILESCc1ccc(CNC2CCC(=O)NC2)c(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9-2-3-10(12(14)6-9)7-15-11-4-5-13(17)16-8-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17)
InChIKeyNTBZDCWDYCKKKF-UHFFFAOYSA-N
XLogP2.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chloro-4-methylphenyl)methyl]cyclobutanamine
CID 106862588
5-[(2,4-dihydroxyphenyl)methylamino]piperidin-2-one
CID 63378589
2-chloro-4-methyl-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 62491455
2-(2,4-dichlorophenyl)-N-(6-oxopiperidin-3-yl)acetamide
CID 62490404
5-[(2-fluoro-4-methoxyphenyl)methylamino]piperidin-2-one
CID 102876412
N-[(2-chloro-4-methylphenyl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 106862708
4-[(2-methoxy-5-methylphenyl)methylamino]pyrrolidin-2-one
CID 114155202
5-[(3-fluoro-4-methylphenyl)methylamino]piperidin-2-one
CID 63661374
N-[(2-chloro-4-methylphenyl)methyl]thiolan-3-amine
CID 106863336
5-(1-benzofuran-3-ylmethylamino)piperidin-2-one
CID 80700614
5-(pyridin-4-ylmethylamino)piperidin-2-one
CID 63378640
5-[(3,5-dibromo-2-ethoxyphenyl)methylamino]piperidin-2-one
CID 63378552

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one?
The IUPAC name of 5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one (CID 106862663) is 5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one.
What is the SMILES notation for 5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one?
The canonical SMILES for 5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one is Cc1ccc(CNC2CCC(=O)NC2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one?
The InChIKey is NTBZDCWDYCKKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-2-3-10(12(14)6-9)7-15-11-4-5-13(17)16-8-11/h2-3,6,11,15H,4-5,7-8H2,1H3,(H,16,17).
What are the key properties of 5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one?
5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one has a molecular weight of 252.74 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methylphenyl)methylamino]piperidin-2-one is sourced from PubChem (CID 106862663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).