1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide

C21H29F3N2O2 — CID 126770138

IUPAC1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C21H29F3N2O2/c1-2-26-11-4-3-8-18(26)19(27)25-15-20(9-12-28-13-10-20)16-6-5-7-17(14-16)21(22,23)24/h5-7,14,18H,2-4,8-13,15H2,1H3,(H,25,27)
InChIKeyQVBRSUBKBMNDHQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.74
Rot. Bonds5

About 1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide

1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide (PubChem CID 126770138) has the molecular formula C21H29F3N2O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide
PubChem CID126770138
Molecular FormulaC21H29F3N2O2
Molecular Weight398.47 g/mol
Exact Mass398.22
IUPAC Name1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C21H29F3N2O2/c1-2-26-11-4-3-8-18(26)19(27)25-15-20(9-12-28-13-10-20)16-6-5-7-17(14-16)21(22,23)24/h5-7,14,18H,2-4,8-13,15H2,1H3,(H,25,27)
InChIKeyQVBRSUBKBMNDHQ-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-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

3-amino-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]cyclohexane-1-carboxamide
CID 119749716
1-[(1S)-1-cyclopropylethyl]-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]urea
CID 94656629
N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-6-azaspiro[3.4]octane-6-carboxamide
CID 126780903
2-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 48579909
(2S,4S)-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630724
1-cyclopropyl-2-methyl-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]guanidine
CID 110934549
2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976448
2-methyl-1-propyl-3-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]guanidine
CID 111225219
(3S)-1-methyl-5-oxo-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 96998721
4-amino-3-methoxy-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]butanamide
CID 120590246
2-[[ethylamino-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111365303
N-tert-butyl-2-[[N'-methyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]carbamimidoyl]amino]acetamide;hydroiodide
CID 111385087

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide?
The IUPAC name of 1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide (CID 126770138) is 1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide is CCN1CCCCC1C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of 1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide?
The InChIKey is QVBRSUBKBMNDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N2O2/c1-2-26-11-4-3-8-18(26)19(27)25-15-20(9-12-28-13-10-20)16-6-5-7-17(14-16)21(22,23)24/h5-7,14,18H,2-4,8-13,15H2,1H3,(H,25,27).
What are the key properties of 1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide?
1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 126770138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).