1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide

C22H30F3N3O2 — CID 155944781

IUPAC1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NC(c2cccc(C(F)(F)F)c2)C2CCCCC2)CC1
InChIInChI=1S/C22H30F3N3O2/c23-22(24,25)18-8-4-7-17(13-18)20(15-5-2-1-3-6-15)27-19(29)14-28-11-9-16(10-12-28)21(26)30/h4,7-8,13,15-16,20H,1-3,5-6,9-12,14H2,(H2,26,30)(H,27,29)
InChIKeyICMDVMRHYMMWAN-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.64
Rot. Bonds6

About 1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide

1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 155944781) has the molecular formula C22H30F3N3O2 and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID155944781
Molecular FormulaC22H30F3N3O2
Molecular Weight425.50 g/mol
Exact Mass425.23
IUPAC Name1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)NC(c2cccc(C(F)(F)F)c2)C2CCCCC2)CC1
InChIInChI=1S/C22H30F3N3O2/c23-22(24,25)18-8-4-7-17(13-18)20(15-5-2-1-3-6-15)27-19(29)14-28-11-9-16(10-12-28)21(26)30/h4,7-8,13,15-16,20H,1-3,5-6,9-12,14H2,(H2,26,30)(H,27,29)
InChIKeyICMDVMRHYMMWAN-UHFFFAOYSA-N
XLogP3.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168
1-prop-2-ynyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 51091244
N-[(3-chlorophenyl)-cyclopentylmethyl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 170578752
[cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105193958
2-amino-N-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]-3-methoxypropanamide
CID 120993900
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 166601910
1-(2-chloroethyl)-3-[cyclopropyl-[3-(trifluoromethyl)phenyl]methyl]urea
CID 165344289

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide (CID 155944781) is 1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)NC(c2cccc(C(F)(F)F)c2)C2CCCCC2)CC1.
What is the InChIKey of 1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is ICMDVMRHYMMWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F3N3O2/c23-22(24,25)18-8-4-7-17(13-18)20(15-5-2-1-3-6-15)27-19(29)14-28-11-9-16(10-12-28)21(26)30/h4,7-8,13,15-16,20H,1-3,5-6,9-12,14H2,(H2,26,30)(H,27,29).
What are the key properties of 1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[cyclohexyl-[3-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 155944781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).