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

C16H21F3N2O — CID 162535537

IUPACN-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCNCC1
InChIInChI=1S/C16H21F3N2O/c1-2-21(15(22)12-7-9-20-10-8-12)11-13-5-3-4-6-14(13)16(17,18)19/h3-6,12,20H,2,7-11H2,1H3
InChIKeyCYTDLJBGZPPNKH-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.05
Rot. Bonds4

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

N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 162535537) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID162535537
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCNCC1
InChIInChI=1S/C16H21F3N2O/c1-2-21(15(22)12-7-9-20-10-8-12)11-13-5-3-4-6-14(13)16(17,18)19/h3-6,12,20H,2,7-11H2,1H3
InChIKeyCYTDLJBGZPPNKH-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 162535537) is N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CCN(Cc1ccccc1C(F)(F)F)C(=O)C1CCNCC1.
What is the InChIKey of N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is CYTDLJBGZPPNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-2-21(15(22)12-7-9-20-10-8-12)11-13-5-3-4-6-14(13)16(17,18)19/h3-6,12,20H,2,7-11H2,1H3.
What are the key properties of N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 162535537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).