N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

C16H17F3N2O3 — CID 110344318

IUPACN-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCCN(C(=O)C(F)(F)F)C2)cc1
InChIInChI=1S/C16H17F3N2O3/c1-10(22)11-4-6-13(7-5-11)20-14(23)12-3-2-8-21(9-12)15(24)16(17,18)19/h4-7,12H,2-3,8-9H2,1H3,(H,20,23)
InChIKeyDLOOXMBUPHMQHG-UHFFFAOYSA-N
MW342.32 g/mol
LogP2.63
Rot. Bonds3

About N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide

N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (PubChem CID 110344318) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
PubChem CID110344318
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC NameN-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCCN(C(=O)C(F)(F)F)C2)cc1
InChIInChI=1S/C16H17F3N2O3/c1-10(22)11-4-6-13(7-5-11)20-14(23)12-3-2-8-21(9-12)15(24)16(17,18)19/h4-7,12H,2-3,8-9H2,1H3,(H,20,23)
InChIKeyDLOOXMBUPHMQHG-UHFFFAOYSA-N
XLogP2.63
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344301
N-(4-propan-2-yloxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344310
N-(3-chloro-4-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344299
N-(4-acetylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145710
(3S)-1-acetyl-N-(4-carbamoylphenyl)piperidine-3-carboxamide
CID 9207172
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
N-(4-acetylphenyl)-1-(1H-indole-6-carbonyl)piperidine-3-carboxamide
CID 42650295
N-[4-(4-acetylanilino)phenyl]cyclohexanecarboxamide
CID 112988197
2-[[4-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]benzoyl]amino]acetic acid
CID 119220485
1-acetyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-3-carboxamide
CID 110686168
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (CID 110344318) is N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is CC(=O)c1ccc(NC(=O)C2CCCN(C(=O)C(F)(F)F)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The InChIKey is DLOOXMBUPHMQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-10(22)11-4-6-13(7-5-11)20-14(23)12-3-2-8-21(9-12)15(24)16(17,18)19/h4-7,12H,2-3,8-9H2,1H3,(H,20,23).
What are the key properties of N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 110344318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).