N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C15H22F3N3O3 — CID 110715002

IUPACN-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H22F3N3O3/c1-10(22)20-8-4-12(5-9-20)19-13(23)11-2-6-21(7-3-11)14(24)15(16,17)18/h11-12H,2-9H2,1H3,(H,19,23)
InChIKeyRRWJQMWJSRLONJ-UHFFFAOYSA-N
MW349.35 g/mol
LogP0.91
Rot. Bonds2

About N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110715002) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110715002
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC NameN-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H22F3N3O3/c1-10(22)20-8-4-12(5-9-20)19-13(23)11-2-6-21(7-3-11)14(24)15(16,17)18/h11-12H,2-9H2,1H3,(H,19,23)
InChIKeyRRWJQMWJSRLONJ-UHFFFAOYSA-N
XLogP0.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-3-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110868822
1-acetyl-N-(1-cyclopropylpiperidin-4-yl)piperidine-4-carboxamide
CID 110750203
2,2,2-trifluoro-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
CID 108548655
4-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60807892
(3S)-N-cyclopropyl-1-(2,2,2-trifluoroacetyl)pyrrolidine-3-carboxamide;(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 159796721
N-(1-acetylpyrrolidin-3-yl)cyclopentanecarboxamide
CID 110871331
N-cyclopropyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344179
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide
CID 104857306
1-acetyl-N-(4-ethyl-4-methylcyclohexyl)piperidine-4-carboxamide
CID 130233575
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
N-cyclopentyloxy-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110666960

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110715002) is N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is CC(=O)N1CCC(NC(=O)C2CCN(C(=O)C(F)(F)F)CC2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is RRWJQMWJSRLONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O3/c1-10(22)20-8-4-12(5-9-20)19-13(23)11-2-6-21(7-3-11)14(24)15(16,17)18/h11-12H,2-9H2,1H3,(H,19,23).
What are the key properties of N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110715002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).