1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide

C16H21F3N2O2 — CID 71845359

IUPAC1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O2/c1-2-21-10-4-3-5-14(21)15(22)20-23-11-12-6-8-13(9-7-12)16(17,18)19/h6-9,14H,2-5,10-11H2,1H3,(H,20,22)
InChIKeyXKEZKNKILKWUCQ-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.13
Rot. Bonds5

About 1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide

1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide (PubChem CID 71845359) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide
PubChem CID71845359
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide
SMILESCCN1CCCCC1C(=O)NOCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H21F3N2O2/c1-2-21-10-4-3-5-14(21)15(22)20-23-11-12-6-8-13(9-7-12)16(17,18)19/h6-9,14H,2-5,10-11H2,1H3,(H,20,22)
InChIKeyXKEZKNKILKWUCQ-UHFFFAOYSA-N
XLogP3.13
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide?
The IUPAC name of 1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide (CID 71845359) is 1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide is CCN1CCCCC1C(=O)NOCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide?
The InChIKey is XKEZKNKILKWUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-2-21-10-4-3-5-14(21)15(22)20-23-11-12-6-8-13(9-7-12)16(17,18)19/h6-9,14H,2-5,10-11H2,1H3,(H,20,22).
What are the key properties of 1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide?
1-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 3.13, 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-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide is sourced from PubChem (CID 71845359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).