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

C14H17F3N2O — CID 81141127

IUPAC(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-5-3-10(4-6-12)8-19-13(20)11-2-1-7-18-9-11/h3-6,11,18H,1-2,7-9H2,(H,19,20)/t11-/m1/s1
InChIKeyXPDKVDUGTHIGTM-LLVKDONJSA-N
MW286.30 g/mol
LogP2.32
Rot. Bonds3

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

(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 81141127) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is (3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID81141127
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCNC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-5-3-10(4-6-12)8-19-13(20)11-2-1-7-18-9-11/h3-6,11,18H,1-2,7-9H2,(H,19,20)/t11-/m1/s1
InChIKeyXPDKVDUGTHIGTM-LLVKDONJSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277649
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 81133538
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[[4-(carbamoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119277383
N-[(4-nitrophenyl)methyl]piperidine-3-carboxamide
CID 60876167
(2S)-N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119275122
N-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119311250

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 81141127) is (3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is XPDKVDUGTHIGTM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)12-5-3-10(4-6-12)8-19-13(20)11-2-1-7-18-9-11/h3-6,11,18H,1-2,7-9H2,(H,19,20)/t11-/m1/s1.
What are the key properties of (3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81141127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).