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

C15H19F3N2O2 — CID 110894827

IUPAC3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)N1CCCC(CO)C1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)13-5-1-3-11(7-13)8-19-14(22)20-6-2-4-12(9-20)10-21/h1,3,5,7,12,21H,2,4,6,8-10H2,(H,19,22)
InChIKeyNUMKQLKGYJWIPC-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.62
Rot. Bonds3

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

3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 110894827) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
PubChem CID110894827
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC Name3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)N1CCCC(CO)C1
InChIInChI=1S/C15H19F3N2O2/c16-15(17,18)13-5-1-3-11(7-13)8-19-14(22)20-6-2-4-12(9-20)10-21/h1,3,5,7,12,21H,2,4,6,8-10H2,(H,19,22)
InChIKeyNUMKQLKGYJWIPC-UHFFFAOYSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(hydroxymethyl)-N-(2-methylbenzyl)piperidine-1-carboxamide
CID 24748434
3-(Hydroxymethyl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 24748435
N-benzyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 24748367
(RS)-3-(hydroxymethyl)-N-(1-phenylethyl)piperidine-1-carboxamide
CID 24748400
3-(hydroxymethyl)-N-(3-methylbenzyl)piperidine-1-carboxamide
CID 24748401
3-(hydroxymethyl)-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 57670216
N-[(4-cyanophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 60476335
(3R*,4R*)-N-(2-fluorobenzyl)-3-(hydroxymethyl)-4-(1-piperidinylmethyl)-1-pyrrolidinecarboxamide
CID 72895815
N-[(4-chlorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528802
N-benzhydryl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 110882580
2-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 172433601
N-benzyl-3-(hydroxymethyl)piperidine-1-carbothioamide
CID 3985296

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide (CID 110894827) is 3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is NUMKQLKGYJWIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c16-15(17,18)13-5-1-3-11(7-13)8-19-14(22)20-6-2-4-12(9-20)10-21/h1,3,5,7,12,21H,2,4,6,8-10H2,(H,19,22).
What are the key properties of 3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 110894827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).