(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one

C12H15FN2O — CID 95240490

IUPAC(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one
SMILESCc1cc(F)ccc1N1CCC[C@H](N)C1=O
InChIInChI=1S/C12H15FN2O/c1-8-7-9(13)4-5-11(8)15-6-2-3-10(14)12(15)16/h4-5,7,10H,2-3,6,14H2,1H3/t10-/m0/s1
InChIKeyWAGKQOPBNXIWDM-JTQLQIEISA-N
MW222.26 g/mol
LogP1.59
Rot. Bonds1

About (3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one

(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one (PubChem CID 95240490) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is (3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one
PubChem CID95240490
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one
SMILESCc1cc(F)ccc1N1CCC[C@H](N)C1=O
InChIInChI=1S/C12H15FN2O/c1-8-7-9(13)4-5-11(8)15-6-2-3-10(14)12(15)16/h4-5,7,10H,2-3,6,14H2,1H3/t10-/m0/s1
InChIKeyWAGKQOPBNXIWDM-JTQLQIEISA-N
XLogP1.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-amino-1-(4-fluoro-2-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

1-(4-fluoro-2-methylphenyl)-3-(oxan-4-ylamino)piperidin-2-one
CID 118740667
3-amino-1-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-2-one
CID 66477583
3-[(3S)-1-(4-fluoro-2-methylphenyl)-2-oxopiperidin-3-yl]-3-oxopropanenitrile
CID 125449544
3-amino-1-(2,6-dichloro-4-fluorophenyl)piperidin-2-one
CID 83081282
1-(4-fluoro-2-methylphenyl)piperidin-3-amine
CID 54594111
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142
(3S)-1-(5-fluoro-2-methylphenyl)-3-(2-methylpropanoyl)piperidin-2-one
CID 125450551
(3S)-1-(4-fluoro-2-methylphenyl)-3-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)piperidin-2-one
CID 97218828
1-(4-fluoro-2-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64957960
N-[1-(4-fluoro-2-methylphenyl)-2-oxopiperidin-3-yl]-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
CID 167751619
(3R)-3-amino-1-(2-chloro-4-methylphenyl)pyrrolidin-2-one
CID 94237135
3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one
CID 116785599

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one?
The IUPAC name of (3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one (CID 95240490) is (3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one?
The canonical SMILES for (3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one is Cc1cc(F)ccc1N1CCC[C@H](N)C1=O.
What is the InChIKey of (3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one?
The InChIKey is WAGKQOPBNXIWDM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-7-9(13)4-5-11(8)15-6-2-3-10(14)12(15)16/h4-5,7,10H,2-3,6,14H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one?
(3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one has a molecular weight of 222.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-(4-fluoro-2-methylphenyl)piperidin-2-one is sourced from PubChem (CID 95240490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).