(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide

C16H21F3N2O3 — CID 97270143

IUPAC(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H](OC)C2)cc1C(F)(F)F
InChIInChI=1S/C16H21F3N2O3/c1-3-24-14-7-6-11(9-13(14)16(17,18)19)20-15(22)21-8-4-5-12(10-21)23-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyVLNWMLLXWJVBSO-GFCCVEGCSA-N
MW346.35 g/mol
LogP3.75
Rot. Bonds4

About (3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide

(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide (PubChem CID 97270143) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is (3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide
PubChem CID97270143
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H](OC)C2)cc1C(F)(F)F
InChIInChI=1S/C16H21F3N2O3/c1-3-24-14-7-6-11(9-13(14)16(17,18)19)20-15(22)21-8-4-5-12(10-21)23-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyVLNWMLLXWJVBSO-GFCCVEGCSA-N
XLogP3.75
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carboxamide
CID 72854907
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
3-ethoxy-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]piperidine-1-carboxamide
CID 47749624
N-(3-cyano-4-ethoxyphenyl)-3-propoxypiperidine-1-carboxamide
CID 118768650
N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 56822388
(3S)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595317
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(propanoylamino)piperidine-1-carboxamide
CID 95595316
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
(3R)-N-(4-ethoxy-3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carboxamide
CID 95622514
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
N-(4-ethoxy-3-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 118011626

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide (CID 97270143) is (3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC[C@@H](OC)C2)cc1C(F)(F)F.
What is the InChIKey of (3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide?
The InChIKey is VLNWMLLXWJVBSO-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-3-24-14-7-6-11(9-13(14)16(17,18)19)20-15(22)21-8-4-5-12(10-21)23-2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide?
(3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-3-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 97270143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).