N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

C13H22F3N3O — CID 45497352

IUPACN-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)10-18-6-8-19(9-7-18)12(20)17-11-4-2-1-3-5-11/h11H,1-10H2,(H,17,20)
InChIKeyJIXDTXRFHHLJPB-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.21
Rot. Bonds2

About N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (PubChem CID 45497352) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
PubChem CID45497352
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC NameN-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H22F3N3O/c14-13(15,16)10-18-6-8-19(9-7-18)12(20)17-11-4-2-1-3-5-11/h11H,1-10H2,(H,17,20)
InChIKeyJIXDTXRFHHLJPB-UHFFFAOYSA-N
XLogP2.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-4-(2,2,2-trifluoroethyl)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

1-Piperazinecarboxamide, N,4-dicyclohexyl-
CID 1247123
N'-cyclohexyl-N-methyl-N-(1-methyl-4-piperidinyl)urea
CID 974775
1-(1-Acetylpiperidin-4-yl)-3-(4,4-difluorocyclohexyl)urea
CID 25069498
N-cyclohexylpiperazine-1-carboxamide hydrochloride
CID 24746865
N-[2-(diethylamino)ethyl](cyclohexylamino)carboxamide
CID 2054543
1-Cyclohexyl-3-(1-methylpiperidin-4-yl)urea
CID 6468634
4-amino-N-cyclohexylpiperidine-1-carboxamide
CID 6489233
N-cyclohexyl-4-methylpiperazine-1-carboxamide
CID 306772
3-Cyclohexyl-1-(piperidin-4-yl)urea
CID 1445163
N-cyclohexyl-N'-(1-isopropyl-4-piperidinyl)urea
CID 6466102
N-cyclohexyl-4-ethylpiperazine-1-carboxamide
CID 858169
N-cyclohexylpiperazine-1-carboxamide
CID 6489234

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide (CID 45497352) is N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
The InChIKey is JIXDTXRFHHLJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c14-13(15,16)10-18-6-8-19(9-7-18)12(20)17-11-4-2-1-3-5-11/h11H,1-10H2,(H,17,20).
What are the key properties of N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,2,2-trifluoroethyl)piperazine-1-carboxamide is sourced from PubChem (CID 45497352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).