N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide

C20H26F2N2O2 — CID 78803343

IUPACN-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C1CCCCC1
InChIInChI=1S/C20H26F2N2O2/c1-23(16-5-3-2-4-6-16)19(25)14-9-11-24(12-10-14)20(26)17-8-7-15(21)13-18(17)22/h7-8,13-14,16H,2-6,9-12H2,1H3
InChIKeyXSVSNAWSYRYVCF-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.61
Rot. Bonds3

About N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide

N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 78803343) has the molecular formula C20H26F2N2O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide
PubChem CID78803343
Molecular FormulaC20H26F2N2O2
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide
SMILESCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C1CCCCC1
InChIInChI=1S/C20H26F2N2O2/c1-23(16-5-3-2-4-6-16)19(25)14-9-11-24(12-10-14)20(26)17-8-7-15(21)13-18(17)22/h7-8,13-14,16H,2-6,9-12H2,1H3
InChIKeyXSVSNAWSYRYVCF-UHFFFAOYSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 48734174
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 78855442
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 86926948
1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56531234
1-(2,4-difluorobenzoyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]piperidine-4-carboxamide
CID 24647193
1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 24595324
N-cycloheptyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 134048834
(2,4-difluorophenyl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90585099

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide (CID 78803343) is N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide is CN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is XSVSNAWSYRYVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F2N2O2/c1-23(16-5-3-2-4-6-16)19(25)14-9-11-24(12-10-14)20(26)17-8-7-15(21)13-18(17)22/h7-8,13-14,16H,2-6,9-12H2,1H3.
What are the key properties of N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide?
N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 364.44 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 78803343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).