3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C15H19F3N2O3 — CID 119036533

IUPAC3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CO)C(O)C2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-9-2-3-11(6-12(9)15(16,17)18)19-14(23)20-5-4-10(8-21)13(22)7-20/h2-3,6,10,13,21-22H,4-5,7-8H2,1H3,(H,19,23)
InChIKeyVYYJCLVYMIUQBN-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.22
Rot. Bonds2

About 3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 119036533) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID119036533
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(CO)C(O)C2)cc1C(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-9-2-3-11(6-12(9)15(16,17)18)19-14(23)20-5-4-10(8-21)13(22)7-20/h2-3,6,10,13,21-22H,4-5,7-8H2,1H3,(H,19,23)
InChIKeyVYYJCLVYMIUQBN-UHFFFAOYSA-N
XLogP2.22
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
(3S,4R)-N-(5-fluoro-2-methylphenyl)-3-hydroxy-4-(hydroxymethyl)piperidine-1-carboxamide
CID 56892475
2-(4-hydroxypiperidin-1-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-2-oxoacetamide
CID 110901563
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126788238
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
4-[(4-hydroxyphenoxy)methyl]-N-[3-methyl-4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 67236752
4-(2-hydroxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 86988121
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-2-methylbenzoic acid
CID 106670762
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
2-[4-methyl-3-(trifluoromethyl)anilino]-1-pyrrolidin-1-ylethanone
CID 60703975
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide
CID 81458427

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 119036533) is 3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(CO)C(O)C2)cc1C(F)(F)F.
What is the InChIKey of 3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is VYYJCLVYMIUQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-9-2-3-11(6-12(9)15(16,17)18)19-14(23)20-5-4-10(8-21)13(22)7-20/h2-3,6,10,13,21-22H,4-5,7-8H2,1H3,(H,19,23).
What are the key properties of 3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(hydroxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 119036533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).