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

C14H14BrF3N2O2 — CID 110344301

IUPACN-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C14H14BrF3N2O2/c15-10-3-5-11(6-4-10)19-12(21)9-2-1-7-20(8-9)13(22)14(16,17)18/h3-6,9H,1-2,7-8H2,(H,19,21)
InChIKeyNMQCLJOSUKVPEO-UHFFFAOYSA-N
MW379.18 g/mol
LogP3.19
Rot. Bonds2

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

N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (PubChem CID 110344301) has the molecular formula C14H14BrF3N2O2 and a molecular weight of 379.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
PubChem CID110344301
Molecular FormulaC14H14BrF3N2O2
Molecular Weight379.18 g/mol
Exact Mass378.02
IUPAC NameN-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)C1CCCN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C14H14BrF3N2O2/c15-10-3-5-11(6-4-10)19-12(21)9-2-1-7-20(8-9)13(22)14(16,17)18/h3-6,9H,1-2,7-8H2,(H,19,21)
InChIKeyNMQCLJOSUKVPEO-UHFFFAOYSA-N
XLogP3.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344318
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-bromophenyl)cyclohexanecarboxamide
CID 531820
N-(4-bromophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946615
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
N-cyclopropyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344179
N-(4-bromophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859688
(3S)-1-(4-bromophenyl)sulfonyl-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 41302452
N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 42959912
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
N-(3,4-dimethylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47984504

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide (CID 110344301) is N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is O=C(Nc1ccc(Br)cc1)C1CCCN(C(=O)C(F)(F)F)C1.
What is the InChIKey of N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
The InChIKey is NMQCLJOSUKVPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N2O2/c15-10-3-5-11(6-4-10)19-12(21)9-2-1-7-20(8-9)13(22)14(16,17)18/h3-6,9H,1-2,7-8H2,(H,19,21).
What are the key properties of N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide?
N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide has a molecular weight of 379.18 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 110344301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).