(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

C21H29FN2O2 — CID 42591687

IUPAC(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H29FN2O2/c22-19-9-6-16(7-10-19)12-13-23-21(26)18-8-11-20(25)24(15-18)14-17-4-2-1-3-5-17/h6-7,9-10,17-18H,1-5,8,11-15H2,(H,23,26)/t18-/m1/s1
InChIKeyXDNRAUDZCRPJQT-GOSISDBHSA-N
MW360.47 g/mol
LogP3.30
Rot. Bonds6

About (3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide

(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (PubChem CID 42591687) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is (3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
PubChem CID42591687
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H29FN2O2/c22-19-9-6-16(7-10-19)12-13-23-21(26)18-8-11-20(25)24(15-18)14-17-4-2-1-3-5-17/h6-7,9-10,17-18H,1-5,8,11-15H2,(H,23,26)/t18-/m1/s1
InChIKeyXDNRAUDZCRPJQT-GOSISDBHSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(cyclohexylmethyl)-N-[2-(2,4-dioxo-1H-pyrimidin-5-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 97143169
(3R)-1-ethyl-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94088856
1-(cyclohexylmethyl)-6-oxo-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45188915
1-(cyclohexylmethyl)-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 45174365
N-[2-(4-fluorophenyl)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110852538
(3R)-N-[(3-chlorophenyl)methyl]-1-(cyclohexylmethyl)-6-oxopiperidine-3-carboxamide
CID 26330034
(3S)-1-(cyclohexylmethyl)-6-oxo-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 25454472
1-(cyclohexylmethyl)-6-oxo-N-[(5-oxo-1,4-dihydropyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 162153722
1-[(4-chlorophenyl)methyl]-N-(2-cyclopentylethyl)-6-oxopiperidine-3-carboxamide
CID 45199770
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 24793091
1-(cyclohexylmethyl)-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
CID 45201964
(3R)-N-[2-(4-chlorophenyl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 95221049

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide (CID 42591687) is (3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is O=C(NCCc1ccc(F)cc1)[C@@H]1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of (3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is XDNRAUDZCRPJQT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29FN2O2/c22-19-9-6-16(7-10-19)12-13-23-21(26)18-8-11-20(25)24(15-18)14-17-4-2-1-3-5-17/h6-7,9-10,17-18H,1-5,8,11-15H2,(H,23,26)/t18-/m1/s1.
What are the key properties of (3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide?
(3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 360.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclohexylmethyl)-N-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 42591687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).