(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C13H15F3N2O3 — CID 107224975

IUPAC(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@H](O)C1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)21-11-5-3-9(4-6-11)17-12(20)18-7-1-2-10(19)8-18/h3-6,10,19H,1-2,7-8H2,(H,17,20)/t10-/m0/s1
InChIKeySUHIIJHBBXCIDI-JTQLQIEISA-N
MW304.27 g/mol
LogP2.57
Rot. Bonds2

About (3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 107224975) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID107224975
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Name(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@H](O)C1
InChIInChI=1S/C13H15F3N2O3/c14-13(15,16)21-11-5-3-9(4-6-11)17-12(20)18-7-1-2-10(19)8-18/h3-6,10,19H,1-2,7-8H2,(H,17,20)/t10-/m0/s1
InChIKeySUHIIJHBBXCIDI-JTQLQIEISA-N
XLogP2.57
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 24748652
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
(3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 166667248
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
(3S)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 104976383
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 111332468

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 107224975) is (3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is SUHIIJHBBXCIDI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15F3N2O3/c14-13(15,16)21-11-5-3-9(4-6-11)17-12(20)18-7-1-2-10(19)8-18/h3-6,10,19H,1-2,7-8H2,(H,17,20)/t10-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 107224975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).