1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

C20H26F2N2O2 — CID 24790142

IUPAC1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H26F2N2O2/c21-17-8-6-15(10-18(17)22)11-23-20(26)16-7-9-19(25)24(13-16)12-14-4-2-1-3-5-14/h6,8,10,14,16H,1-5,7,9,11-13H2,(H,23,26)
InChIKeyYCVKHZDSHGZLNR-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.40
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790142) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790142
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C20H26F2N2O2/c21-17-8-6-15(10-18(17)22)11-23-20(26)16-7-9-19(25)24(13-16)12-14-4-2-1-3-5-14/h6,8,10,14,16H,1-5,7,9,11-13H2,(H,23,26)
InChIKeyYCVKHZDSHGZLNR-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790142) is 1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is O=C(NCc1ccc(F)c(F)c1)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is YCVKHZDSHGZLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c21-17-8-6-15(10-18(17)22)11-23-20(26)16-7-9-19(25)24(13-16)12-14-4-2-1-3-5-14/h6,8,10,14,16H,1-5,7,9,11-13H2,(H,23,26).
What are the key properties of 1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-[(3,4-difluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).