(3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide

C20H27FN2O3 — CID 71816033

IUPAC(3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)[C@@]1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C20H27FN2O3/c21-17-9-4-8-16(12-17)13-22-18(24)20(26)10-5-11-23(19(20)25)14-15-6-2-1-3-7-15/h4,8-9,12,15,26H,1-3,5-7,10-11,13-14H2,(H,22,24)/t20-/m0/s1
InChIKeyOGBWQDHRBDIZGF-FQEVSTJZSA-N
MW362.45 g/mol
LogP2.38
Rot. Bonds5

About (3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide

(3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide (PubChem CID 71816033) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is (3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide
PubChem CID71816033
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name(3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(F)c1)[C@@]1(O)CCCN(CC2CCCCC2)C1=O
InChIInChI=1S/C20H27FN2O3/c21-17-9-4-8-16(12-17)13-22-18(24)20(26)10-5-11-23(19(20)25)14-15-6-2-1-3-7-15/h4,8-9,12,15,26H,1-3,5-7,10-11,13-14H2,(H,22,24)/t20-/m0/s1
InChIKeyOGBWQDHRBDIZGF-FQEVSTJZSA-N
XLogP2.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(cyclohexylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 26397324
(3R)-1-(cyclobutylmethyl)-3-[[(3-fluorophenyl)methylamino]methyl]-3-hydroxypiperidin-2-one
CID 42460789
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide
CID 151890176
N-[(3-fluorophenyl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907192
(3R)-1-[(2,3-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide
CID 71816096
N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-2-oxo-1-phenylpiperidine-3-carboxamide
CID 71745053
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763607
1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117206
(3R)-1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087682
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide (CID 71816033) is (3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide is O=C(NCc1cccc(F)c1)[C@@]1(O)CCCN(CC2CCCCC2)C1=O.
What is the InChIKey of (3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide?
The InChIKey is OGBWQDHRBDIZGF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27FN2O3/c21-17-9-4-8-16(12-17)13-22-18(24)20(26)10-5-11-23(19(20)25)14-15-6-2-1-3-7-15/h4,8-9,12,15,26H,1-3,5-7,10-11,13-14H2,(H,22,24)/t20-/m0/s1.
What are the key properties of (3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide?
(3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 71816033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).