5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

C20H26F3N3O2 — CID 24790489

IUPAC5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESCCN1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C20H26F3N3O2/c1-2-24-8-10-25(11-9-24)19(28)16-6-7-18(27)26(14-16)13-15-4-3-5-17(12-15)20(21,22)23/h3-5,12,16H,2,6-11,13-14H2,1H3
InChIKeyAXFLSTBLNZEBSO-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.61
Rot. Bonds4

About 5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one

5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (PubChem CID 24790489) has the molecular formula C20H26F3N3O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.

Molecular Properties

Compound Name5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
PubChem CID24790489
Molecular FormulaC20H26F3N3O2
Molecular Weight397.44 g/mol
Exact Mass397.20
IUPAC Name5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
SMILESCCN1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1
InChIInChI=1S/C20H26F3N3O2/c1-2-24-8-10-25(11-9-24)19(28)16-6-7-18(27)26(14-16)13-15-4-3-5-17(12-15)20(21,22)23/h3-5,12,16H,2,6-11,13-14H2,1H3
InChIKeyAXFLSTBLNZEBSO-UHFFFAOYSA-N
XLogP2.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-5-phenyl-3,6-dihydro-2H-pyridine-4-carboxamide
CID 23146876
(3R,4R)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
CID 57398782
(3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-acetylpiperidine-4-carbonyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide
CID 44433789
(3S,4R)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-acetylpiperidine-4-carbonyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide
CID 44433810
(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 57398783
(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)piperidine-4-carboxamide
CID 57403991
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
2-[3,5-bis(trifluoromethyl)phenyl]-N-[2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-N-methylacetamide
CID 44358428
2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)-2-(2,3,4-trifluorophenyl)ethyl]acetamide
CID 44358720
2-[3,5-bis(trifluoromethyl)phenyl]-N-methyl-N-[2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]acetamide
CID 44358727
(3R,4R)-1-acetyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
CID 57398780
(3R,4S)-1-acetyl-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
CID 57398781

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one (CID 24790489) is 5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one.
What is the SMILES notation for 5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The canonical SMILES for 5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is CCN1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1.
What is the InChIKey of 5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
The InChIKey is AXFLSTBLNZEBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O2/c1-2-24-8-10-25(11-9-24)19(28)16-6-7-18(27)26(14-16)13-15-4-3-5-17(12-15)20(21,22)23/h3-5,12,16H,2,6-11,13-14H2,1H3.
What are the key properties of 5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one?
5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one has a molecular weight of 397.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazine-1-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one is sourced from PubChem (CID 24790489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).