1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C22H29F3N2O2 — CID 45188795

IUPAC1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C22H29F3N2O2/c1-26(14-17-9-5-6-10-19(17)22(23,24)25)21(29)18-11-12-20(28)27(15-18)13-16-7-3-2-4-8-16/h5-6,9-10,16,18H,2-4,7-8,11-15H2,1H3
InChIKeyGNXFFZVBGZSLRG-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.48
Rot. Bonds5

About 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 45188795) has the molecular formula C22H29F3N2O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID45188795
Molecular FormulaC22H29F3N2O2
Molecular Weight410.48 g/mol
Exact Mass410.22
IUPAC Name1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCC(=O)N(CC2CCCCC2)C1
InChIInChI=1S/C22H29F3N2O2/c1-26(14-17-9-5-6-10-19(17)22(23,24)25)21(29)18-11-12-20(28)27(15-18)13-16-7-3-2-4-8-16/h5-6,9-10,16,18H,2-4,7-8,11-15H2,1H3
InChIKeyGNXFFZVBGZSLRG-UHFFFAOYSA-N
XLogP4.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 45188795) is 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCC(=O)N(CC2CCCCC2)C1.
What is the InChIKey of 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is GNXFFZVBGZSLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F3N2O2/c1-26(14-17-9-5-6-10-19(17)22(23,24)25)21(29)18-11-12-20(28)27(15-18)13-16-7-3-2-4-8-16/h5-6,9-10,16,18H,2-4,7-8,11-15H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-N-methyl-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 45188795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).