5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one

C12H15ClN2O — CID 106818871

IUPAC5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one
SMILESCc1ccc(C2NC(=O)CCC2N)cc1Cl
InChIInChI=1S/C12H15ClN2O/c1-7-2-3-8(6-9(7)13)12-10(14)4-5-11(16)15-12/h2-3,6,10,12H,4-5,14H2,1H3,(H,15,16)
InChIKeyQHPHOZOSVHXOBK-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.93
Rot. Bonds1

About 5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one

5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one (PubChem CID 106818871) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one
PubChem CID106818871
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one
SMILESCc1ccc(C2NC(=O)CCC2N)cc1Cl
InChIInChI=1S/C12H15ClN2O/c1-7-2-3-8(6-9(7)13)12-10(14)4-5-11(16)15-12/h2-3,6,10,12H,4-5,14H2,1H3,(H,15,16)
InChIKeyQHPHOZOSVHXOBK-UHFFFAOYSA-N
XLogP1.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one
CID 64539749
(5S,6S)-5-amino-6-(4-bromophenyl)piperidin-2-one
CID 67311120
2-(3-chloro-4-methylphenyl)cyclopentan-1-amine
CID 103852573
(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
CID 95369037
5-amino-6-(3,5-dibromophenyl)piperidin-2-one
CID 91619282
5-amino-6-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 22106511
1-(3-chloro-4-methylphenyl)-3-cyclopropyl-1,4-diazepane-2,5-dione
CID 64961674
(4R)-4-(3-chloro-4-methylphenyl)imidazolidin-2-one
CID 130642849
(2S)-2-(3-chloro-4-methylphenyl)aziridine
CID 55263390
6-(3,4-dimethylphenyl)-5-nitropiperidin-2-one
CID 54446205
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
(2R)-2-(3-chloro-4-methylphenyl)azetidine;hydrochloride
CID 171197250

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one?
The IUPAC name of 5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one (CID 106818871) is 5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one.
What is the SMILES notation for 5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one?
The canonical SMILES for 5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one is Cc1ccc(C2NC(=O)CCC2N)cc1Cl.
What is the InChIKey of 5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one?
The InChIKey is QHPHOZOSVHXOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7-2-3-8(6-9(7)13)12-10(14)4-5-11(16)15-12/h2-3,6,10,12H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one?
5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one has a molecular weight of 238.72 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-chloro-4-methylphenyl)piperidin-2-one is sourced from PubChem (CID 106818871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).