1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one

C21H25FN2O2 — CID 45179538

IUPAC1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one
SMILESCc1ccccc1CNCC1(O)CCCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C21H25FN2O2/c1-16-5-2-3-6-18(16)13-23-15-21(26)11-4-12-24(20(21)25)14-17-7-9-19(22)10-8-17/h2-3,5-10,23,26H,4,11-15H2,1H3
InChIKeyQIUOTQNCWDMRMM-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.78
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one

1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one (PubChem CID 45179538) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one
PubChem CID45179538
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one
SMILESCc1ccccc1CNCC1(O)CCCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C21H25FN2O2/c1-16-5-2-3-6-18(16)13-23-15-21(26)11-4-12-24(20(21)25)14-17-7-9-19(22)10-8-17/h2-3,5-10,23,26H,4,11-15H2,1H3
InChIKeyQIUOTQNCWDMRMM-UHFFFAOYSA-N
XLogP2.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]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

6-oxo-1-(3-phenylpropyl)-N-[2-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24790160
1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24791484
3-{[(2,2-Dimethylpropyl)amino]methyl}-1-(2-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45223099
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-(3-phenylpropyl)-2H-pyrrole-3-carboxamide
CID 54733177
4-hydroxy-1-methyl-5-oxo-N-[(2-phenylphenyl)methyl]-2H-pyrrole-3-carboxamide
CID 90330471
N-(5-fluoro-2-methylbenzyl)-6-oxo-1-(2-phenylethyl)-3-piperidinecarboxamide
CID 24819258
1-[2-(3-fluorophenyl)ethyl]-N-[2-(2-methylphenyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24794331
1-(3-fluorobenzyl)-N-(2-methylbenzyl)-6-oxo-3-piperidinecarboxamide
CID 24818887
1-(2,3-Difluorobenzyl)-3-{[(2,2-dimethylpropyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45194009
3-[(Cyclopentylamino)methyl]-1-(2,3-difluorobenzyl)-3-hydroxy-2-piperidinone
CID 45248885
1-(2,3-Difluorobenzyl)-3-{[(3-fluorobenzyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45227864
1-(cyclohexylmethyl)-N-(5-fluoro-2-methylbenzyl)-6-oxo-3-piperidinecarboxamide
CID 24790149

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one (CID 45179538) is 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one is Cc1ccccc1CNCC1(O)CCCN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one?
The InChIKey is QIUOTQNCWDMRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-16-5-2-3-6-18(16)13-23-15-21(26)11-4-12-24(20(21)25)14-17-7-9-19(22)10-8-17/h2-3,5-10,23,26H,4,11-15H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one?
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one has a molecular weight of 356.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[[(2-methylphenyl)methylamino]methyl]piperidin-2-one is sourced from PubChem (CID 45179538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).