N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide

C12H20F3N3O — CID 69713225

IUPACN-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
SMILESC1CC(CCC1C(F)(F)F)NC(=O)N2CCNCC2
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-1-3-10(4-2-9)17-11(19)18-7-5-16-6-8-18/h9-10,16H,1-8H2,(H,17,19)
InChIKeyZBWBDYONPRDOKV-UHFFFAOYSA-N
MW279.30 g/mol
LogP1.50
Rot. Bonds1

About N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide

N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide (PubChem CID 69713225) has the molecular formula C12H20F3N3O and a molecular weight of 279.30 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
PubChem CID69713225
Molecular FormulaC12H20F3N3O
Molecular Weight279.30 g/mol
Exact Mass279.16
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide
SMILESC1CC(CCC1C(F)(F)F)NC(=O)N2CCNCC2
InChIInChI=1S/C12H20F3N3O/c13-12(14,15)9-1-3-10(4-2-9)17-11(19)18-7-5-16-6-8-18/h9-10,16H,1-8H2,(H,17,19)
InChIKeyZBWBDYONPRDOKV-UHFFFAOYSA-N
XLogP1.50
TPSA44.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity308

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(trifluoromethyl)cyclohexyl]piperazine-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

Related Compounds

N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
CID 45497352
1-Methyl-3-(4-methylcyclohexyl)-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 56827100
3-[4-(Difluoromethyl)cyclohexyl]-1,1-dimethylurea
CID 126794515
N,2-dimethyl-3-(trifluoromethyl)piperidine-1-carboxamide
CID 132297135
1-[[(2R)-1-cyclohexylazetidin-2-yl]methyl]-3-[4-(difluoromethyl)cyclohexyl]urea
CID 164633099
N-[(2S)-1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 67198553
N-[(2S)-5,5,5-trifluoro-4-methyl-1-(methylamino)pentan-2-yl]piperidine-1-carboxamide
CID 69468023
N-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69469604
2-[(2S)-1-(4,4-difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69469607
2-[1-(4,4-Difluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69469624
N-[(2S)-1-(1-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 69470904
N-[1-(4-fluorocyclohexyl)-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
CID 77238978

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide (CID 69713225) is N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide is C1CC(CCC1C(F)(F)F)NC(=O)N2CCNCC2.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide?
The InChIKey is ZBWBDYONPRDOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O/c13-12(14,15)9-1-3-10(4-2-9)17-11(19)18-7-5-16-6-8-18/h9-10,16H,1-8H2,(H,17,19).
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide?
N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide has a molecular weight of 279.30 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohexyl]piperazine-1-carboxamide is sourced from PubChem (CID 69713225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).