1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

C18H23F3N2O3 — CID 35240590

IUPAC1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H23F3N2O3/c19-18(20,21)13-4-1-2-5-14(13)22-16(24)12-7-9-23(10-8-12)17(25)15-6-3-11-26-15/h3,6,11-14H,1-2,4-5,7-10H2,(H,22,24)/t13-,14+/m0/s1
InChIKeyBHBKEPZBMXGXHY-UONOGXRCSA-N
MW372.39 g/mol
LogP3.37
Rot. Bonds3

About 1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide

1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (PubChem CID 35240590) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
PubChem CID35240590
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C18H23F3N2O3/c19-18(20,21)13-4-1-2-5-14(13)22-16(24)12-7-9-23(10-8-12)17(25)15-6-3-11-26-15/h3,6,11-14H,1-2,4-5,7-10H2,(H,22,24)/t13-,14+/m0/s1
InChIKeyBHBKEPZBMXGXHY-UONOGXRCSA-N
XLogP3.37
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]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-(furan-2-carbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 17447551
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
1-(furan-2-carbonyl)-N-(2-oxothiolan-3-yl)piperidine-4-carboxamide
CID 17081696
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
1-(furan-2-carbonyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 18153582
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
azepan-1-yl(furan-2-yl)methanone
CID 5200992
1-phenyl-N-[(1S,2R)-2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 138002411
cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129397980
1-(furan-2-carbonyl)-N-[(2R)-2-[(2-methylbenzoyl)amino]cyclohexyl]piperidine-3-carboxamide
CID 46104197

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide (CID 35240590) is 1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
The InChIKey is BHBKEPZBMXGXHY-UONOGXRCSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c19-18(20,21)13-4-1-2-5-14(13)22-16(24)12-7-9-23(10-8-12)17(25)15-6-3-11-26-15/h3,6,11-14H,1-2,4-5,7-10H2,(H,22,24)/t13-,14+/m0/s1.
What are the key properties of 1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide?
1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-carbonyl)-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide is sourced from PubChem (CID 35240590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).