3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one

C18H25FN2O2 — CID 45173581

IUPAC3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2)CCCC1(O)CNC1CCCC1
InChIInChI=1S/C18H25FN2O2/c19-15-8-6-14(7-9-15)12-21-11-3-10-18(23,17(21)22)13-20-16-4-1-2-5-16/h6-9,16,20,23H,1-5,10-13H2
InChIKeyPBMQONRGGKUOGT-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.21
Rot. Bonds5

About 3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one

3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one (PubChem CID 45173581) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
PubChem CID45173581
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2)CCCC1(O)CNC1CCCC1
InChIInChI=1S/C18H25FN2O2/c19-15-8-6-14(7-9-15)12-21-11-3-10-18(23,17(21)22)13-20-16-4-1-2-5-16/h6-9,16,20,23H,1-5,10-13H2
InChIKeyPBMQONRGGKUOGT-UHFFFAOYSA-N
XLogP2.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methyl]-N-[(1-hydroxycyclohexyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24791484
1-cyclopentyl-N-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24817103
N-(3-cyclopentylpropyl)-1-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24817106
1-cyclopentyl-N-(2,3-difluoro-4-methylbenzyl)-6-oxo-3-piperidinecarboxamide
CID 24817350
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-cyclobutyl-1-(2-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24791233
N-cyclobutyl-1-(3-fluorobenzyl)-6-keto-nipecotamide
CID 24791464
1-cyclopropyl-N-(3-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24818881
N-(3-cyclopentylpropyl)-1-(2-fluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24791437
N-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-1-[2-(1-piperidyl)ethyl]-2H-pyrrole-3-carboxamide
CID 54733179
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-5-oxo-2-phenyl-2H-pyrrole-3-carboxamide
CID 54733180

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one (CID 45173581) is 3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one is O=C1N(Cc2ccc(F)cc2)CCCC1(O)CNC1CCCC1.
What is the InChIKey of 3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
The InChIKey is PBMQONRGGKUOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c19-15-8-6-14(7-9-15)12-21-11-3-10-18(23,17(21)22)13-20-16-4-1-2-5-16/h6-9,16,20,23H,1-5,10-13H2.
What are the key properties of 3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one?
3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one has a molecular weight of 320.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentylamino)methyl]-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 45173581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).