4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide

C20H34F3N3O — CID 55793808

IUPAC4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)N1CCC(CN2CCCCCC2)CC1
InChIInChI=1S/C20H34F3N3O/c21-20(22,23)17-6-5-7-18(14-17)24-19(27)26-12-8-16(9-13-26)15-25-10-3-1-2-4-11-25/h16-18H,1-15H2,(H,24,27)
InChIKeyFIQFCCGUFQILPA-UHFFFAOYSA-N
MW389.51 g/mol
LogP4.41
Rot. Bonds3

About 4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide

4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide (PubChem CID 55793808) has the molecular formula C20H34F3N3O and a molecular weight of 389.51 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
PubChem CID55793808
Molecular FormulaC20H34F3N3O
Molecular Weight389.51 g/mol
Exact Mass389.27
IUPAC Name4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide
SMILESO=C(NC1CCCC(C(F)(F)F)C1)N1CCC(CN2CCCCCC2)CC1
InChIInChI=1S/C20H34F3N3O/c21-20(22,23)17-6-5-7-18(14-17)24-19(27)26-12-8-16(9-13-26)15-25-10-3-1-2-4-11-25/h16-18H,1-15H2,(H,24,27)
InChIKeyFIQFCCGUFQILPA-UHFFFAOYSA-N
XLogP4.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide (CID 55793808) is 4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide is O=C(NC1CCCC(C(F)(F)F)C1)N1CCC(CN2CCCCCC2)CC1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
The InChIKey is FIQFCCGUFQILPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34F3N3O/c21-20(22,23)17-6-5-7-18(14-17)24-19(27)26-12-8-16(9-13-26)15-25-10-3-1-2-4-11-25/h16-18H,1-15H2,(H,24,27).
What are the key properties of 4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide?
4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide has a molecular weight of 389.51 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-1-carboxamide is sourced from PubChem (CID 55793808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).