N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

C17H21F3N2O2 — CID 110344215

IUPACN-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C17H21F3N2O2/c1-2-21(11-13-7-4-3-5-8-13)15(23)14-9-6-10-22(12-14)16(24)17(18,19)20/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyKHXDJJUINCGNSF-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.84
Rot. Bonds4

About N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (PubChem CID 110344215) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
PubChem CID110344215
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC NameN-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C17H21F3N2O2/c1-2-21(11-13-7-4-3-5-8-13)15(23)14-9-6-10-22(12-14)16(24)17(18,19)20/h3-5,7-8,14H,2,6,9-12H2,1H3
InChIKeyKHXDJJUINCGNSF-UHFFFAOYSA-N
XLogP2.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55629106
N-benzyl-N-ethylcyclobutanecarboxamide
CID 110755489
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
(3S)-N-benzyl-N-ethyl-1-(1-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 28822083
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
tert-butyl 3-[ethyl-[(4-fluorophenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 71635208
tert-butyl 3-[benzyl(propyl)carbamoyl]piperidine-1-carboxylate
CID 55462555
2-[benzyl-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]amino]acetic acid
CID 119196915
1-[3-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 110344229
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 18148402
N-(3-aminopropyl)-N-benzyl-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 120648128

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (CID 110344215) is N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is CCN(Cc1ccccc1)C(=O)C1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The InChIKey is KHXDJJUINCGNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-2-21(11-13-7-4-3-5-8-13)15(23)14-9-6-10-22(12-14)16(24)17(18,19)20/h3-5,7-8,14H,2,6,9-12H2,1H3.
What are the key properties of N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 110344215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).