(3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C18H21F3N4O — CID 97120414

IUPAC(3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H21F3N4O/c1-2-24-11-9-22-16(24)13-6-5-10-25(12-13)17(26)23-15-8-4-3-7-14(15)18(19,20)21/h3-4,7-9,11,13H,2,5-6,10,12H2,1H3,(H,23,26)/t13-/m1/s1
InChIKeyXXBMMOIXTSXZIR-CYBMUJFWSA-N
MW366.39 g/mol
LogP4.33
Rot. Bonds3

About (3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

(3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 97120414) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is (3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID97120414
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name(3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H21F3N4O/c1-2-24-11-9-22-16(24)13-6-5-10-25(12-13)17(26)23-15-8-4-3-7-14(15)18(19,20)21/h3-4,7-9,11,13H,2,5-6,10,12H2,1H3,(H,23,26)/t13-/m1/s1
InChIKeyXXBMMOIXTSXZIR-CYBMUJFWSA-N
XLogP4.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(1-ethylimidazol-2-yl)-N-(4-methylsulfanylphenyl)piperidine-1-carboxamide
CID 97121117
(3R)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97128365
(3S)-N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97128366
N-(2-chloro-6-methylphenyl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 70739555
(3R)-N-(2-chlorophenyl)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97187128
(3R)-N-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 97143036
N-(1,3-benzodioxol-5-yl)-3-(1-ethylimidazol-2-yl)piperidine-1-carboxamide
CID 70765081
(3R)-3-hydroxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 78931972
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
1-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-5-phenylpentan-1-one
CID 70721040
4-[(2-phenylimidazol-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 90494539
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 97120414) is (3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is CCn1ccnc1[C@@H]1CCCN(C(=O)Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of (3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is XXBMMOIXTSXZIR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-2-24-11-9-22-16(24)13-6-5-10-25(12-13)17(26)23-15-8-4-3-7-14(15)18(19,20)21/h3-4,7-9,11,13H,2,5-6,10,12H2,1H3,(H,23,26)/t13-/m1/s1.
What are the key properties of (3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
(3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 366.39 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-ethylimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 97120414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).