1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide

C20H27FN2O3 — CID 151890176

IUPAC1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide
SMILESCC1CCN(C2CCCCC2)C(=O)C1(O)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H27FN2O3/c1-14-10-11-23(17-8-3-2-4-9-17)19(25)20(14,26)18(24)22-13-15-6-5-7-16(21)12-15/h5-7,12,14,17,26H,2-4,8-11,13H2,1H3,(H,22,24)
InChIKeySQOKOQAZSPHUCJ-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.37
Rot. Bonds4

About 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide

1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide (PubChem CID 151890176) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide
PubChem CID151890176
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide
SMILESCC1CCN(C2CCCCC2)C(=O)C1(O)C(=O)NCc1cccc(F)c1
InChIInChI=1S/C20H27FN2O3/c1-14-10-11-23(17-8-3-2-4-9-17)19(25)20(14,26)18(24)22-13-15-6-5-7-16(21)12-15/h5-7,12,14,17,26H,2-4,8-11,13H2,1H3,(H,22,24)
InChIKeySQOKOQAZSPHUCJ-UHFFFAOYSA-N
XLogP2.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.37
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

(3S)-1-(cyclohexylmethyl)-N-[(3-fluorophenyl)methyl]-3-hydroxy-2-oxopiperidine-3-carboxamide
CID 71816033
N-[(3-fluorophenyl)methyl]-1-hydroxycyclopentane-1-carboxamide
CID 110907192
(3R,4R)-4-cyclobutyl-N-[(3-fluorophenyl)methyl]-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 72847414
N-[(3-fluorophenyl)methyl]-3-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 53117562
2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763607
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
1-[(3-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61195010
N-[(3-fluorophenyl)methyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 108898597
2,2-dichloro-N-[(3-fluorophenyl)methyl]-1-methylcyclopropane-1-carboxamide
CID 46447833
methyl 1-[(3-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylate
CID 115184452
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 6489617
N-[(3-fluorophenyl)methyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 55577453

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide (CID 151890176) is 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide is CC1CCN(C2CCCCC2)C(=O)C1(O)C(=O)NCc1cccc(F)c1.
What is the InChIKey of 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide?
The InChIKey is SQOKOQAZSPHUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-14-10-11-23(17-8-3-2-4-9-17)19(25)20(14,26)18(24)22-13-15-6-5-7-16(21)12-15/h5-7,12,14,17,26H,2-4,8-11,13H2,1H3,(H,22,24).
What are the key properties of 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide?
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3-fluorophenyl)methyl]-3-hydroxy-4-methyl-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 151890176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).