(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

C14H17F3N2O2 — CID 81133538

IUPAC(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCCNC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-5-3-10(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-/m0/s1
InChIKeyOWIYWQKQYNPOTB-NSHDSACASA-N
MW302.30 g/mol
LogP2.20
Rot. Bonds4

About (3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide

(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 81133538) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is (3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
PubChem CID81133538
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCCNC1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-5-3-10(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-/m0/s1
InChIKeyOWIYWQKQYNPOTB-NSHDSACASA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277649
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
(3S)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 94688914
N-[(4-cyclohexyloxyphenyl)methyl]piperidine-3-carboxamide
CID 119312808
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 18073073
N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165
N-[[4-(phenoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 119286636
(3R)-N-[(4-cyanophenyl)methyl]piperidine-3-carboxamide
CID 81124360
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
(3R)-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81139149
N-(pyridin-4-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 56832251

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide (CID 81133538) is (3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is OWIYWQKQYNPOTB-NSHDSACASA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-5-3-10(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-/m0/s1.
What are the key properties of (3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide?
(3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 81133538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).