1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

C21H29FN2O2 — CID 24790149

IUPAC1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(F)cc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H29FN2O2/c1-15-7-9-19(22)11-18(15)12-23-21(26)17-8-10-20(25)24(14-17)13-16-5-3-2-4-6-16/h7,9,11,16-17H,2-6,8,10,12-14H2,1H3,(H,23,26)
InChIKeyGFRHAOURIUFFOX-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.57
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790149) has the molecular formula C21H29FN2O2 and a molecular weight of 360.47 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790149
Molecular FormulaC21H29FN2O2
Molecular Weight360.47 g/mol
Exact Mass360.22
IUPAC Name1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1ccc(F)cc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C21H29FN2O2/c1-15-7-9-19(22)11-18(15)12-23-21(26)17-8-10-20(25)24(14-17)13-16-5-3-2-4-6-16/h7,9,11,16-17H,2-6,8,10,12-14H2,1H3,(H,23,26)
InChIKeyGFRHAOURIUFFOX-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790149) is 1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is Cc1ccc(F)cc1CNC(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is GFRHAOURIUFFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O2/c1-15-7-9-19(22)11-18(15)12-23-21(26)17-8-10-20(25)24(14-17)13-16-5-3-2-4-6-16/h7,9,11,16-17H,2-6,8,10,12-14H2,1H3,(H,23,26).
What are the key properties of 1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 360.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(5-fluoro-2-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).