(3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C13H14BrF3N2O — CID 81123334

IUPAC(3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CCCNC1
InChIInChI=1S/C13H14BrF3N2O/c14-11-4-3-9(6-10(11)13(15,16)17)19-12(20)8-2-1-5-18-7-8/h3-4,6,8,18H,1-2,5,7H2,(H,19,20)/t8-/m1/s1
InChIKeyDNZIXSIFMJKJCT-MRVPVSSYSA-N
MW351.17 g/mol
LogP3.41
Rot. Bonds2

About (3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

(3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 81123334) has the molecular formula C13H14BrF3N2O and a molecular weight of 351.17 g/mol. Its IUPAC name is (3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID81123334
Molecular FormulaC13H14BrF3N2O
Molecular Weight351.17 g/mol
Exact Mass350.02
IUPAC Name(3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CCCNC1
InChIInChI=1S/C13H14BrF3N2O/c14-11-4-3-9(6-10(11)13(15,16)17)19-12(20)8-2-1-5-18-7-8/h3-4,6,8,18H,1-2,5,7H2,(H,19,20)/t8-/m1/s1
InChIKeyDNZIXSIFMJKJCT-MRVPVSSYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
2-[[4-bromo-3-(trifluoromethyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974356
N-[3-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119291452
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
CID 167761264
N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
CID 43706556
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)piperidine-3-carboxamide
CID 114263025
(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide
CID 28992192
(3R)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 81124265
N-(1,3-benzothiazol-5-yl)piperidine-3-carboxamide
CID 119296080
N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79050344

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 81123334) is (3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(Br)c(C(F)(F)F)c1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is DNZIXSIFMJKJCT-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H14BrF3N2O/c14-11-4-3-9(6-10(11)13(15,16)17)19-12(20)8-2-1-5-18-7-8/h3-4,6,8,18H,1-2,5,7H2,(H,19,20)/t8-/m1/s1.
What are the key properties of (3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
(3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 351.17 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 81123334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).