1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one

C16H22F2N2O2 — CID 45205242

IUPAC1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one
SMILESCCCNCC1(O)CCCN(Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C16H22F2N2O2/c1-2-8-19-11-16(22)7-4-9-20(15(16)21)10-12-5-3-6-13(17)14(12)18/h3,5-6,19,22H,2,4,7-11H2,1H3
InChIKeyDXRKKIFKQCJYAA-UHFFFAOYSA-N
MW312.36 g/mol
LogP1.82
Rot. Bonds6

About 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one

1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one (PubChem CID 45205242) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one
PubChem CID45205242
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one
SMILESCCCNCC1(O)CCCN(Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C16H22F2N2O2/c1-2-8-19-11-16(22)7-4-9-20(15(16)21)10-12-5-3-6-13(17)14(12)18/h3,5-6,19,22H,2,4,7-11H2,1H3
InChIKeyDXRKKIFKQCJYAA-UHFFFAOYSA-N
XLogP1.82
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)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-[(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]-2-hydroxy-3-oxo-6,7,8,8a-tetrahydro-5H-indolizine-1-carboxamide
CID 54733182
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24817290
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-[2-(1-piperidyl)ethyl]-2H-pyrrole-3-carboxamide
CID 54733179
1-(cyclohexylmethyl)-N-(3,4-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24790142
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-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24794004
3-{[Benzyl(methyl)amino]methyl}-1-(4-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45168211
3-[(Benzylamino)methyl]-1-(2,3-difluorobenzyl)-3-hydroxy-2-piperidinone
CID 45180101

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one (CID 45205242) is 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one is CCCNCC1(O)CCCN(Cc2cccc(F)c2F)C1=O.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one?
The InChIKey is DXRKKIFKQCJYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-2-8-19-11-16(22)7-4-9-20(15(16)21)10-12-5-3-6-13(17)14(12)18/h3,5-6,19,22H,2,4,7-11H2,1H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one?
1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one has a molecular weight of 312.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3-hydroxy-3-(propylaminomethyl)piperidin-2-one is sourced from PubChem (CID 45205242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).