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

C14H17F3N2O3 — CID 24748327

IUPAC3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC(CO)C1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)22-12-5-3-11(4-6-12)18-13(21)19-7-1-2-10(8-19)9-20/h3-6,10,20H,1-2,7-9H2,(H,18,21)
InChIKeyYWHMOMBPOAVXKZ-UHFFFAOYSA-N
MW318.29 g/mol
LogP2.82
Rot. Bonds3

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

3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 24748327) has the molecular formula C14H17F3N2O3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID24748327
Molecular FormulaC14H17F3N2O3
Molecular Weight318.29 g/mol
Exact Mass318.12
IUPAC Name3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC(CO)C1
InChIInChI=1S/C14H17F3N2O3/c15-14(16,17)22-12-5-3-11(4-6-12)18-13(21)19-7-1-2-10(8-19)9-20/h3-6,10,20H,1-2,7-9H2,(H,18,21)
InChIKeyYWHMOMBPOAVXKZ-UHFFFAOYSA-N
XLogP2.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Trifluoromethoxyphenyl-3-(1-propionylpiperidine-4-yl)urea
CID 44142782
EC-5026
CID 91933845
1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
3-(1-Acetylpiperidin-4-yl)-1-[4-(trifluoromethoxy)phenyl]urea
CID 25093352
1-Cyclohexyl-3-[4-(trifluoromethoxy)phenyl]urea
CID 4799088
1-(4-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 25015279
1-(1-(Cyclopropanecarbonyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 45888834
1-(1-(Trifluoroacetyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 49780367
8-(2-ethylbutanoyl)-N-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
CID 71566538
1-(1-Isobutyrylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 71678005
1-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 71679327
1-(1-(2-Methylbutanoyl)piperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 71680197

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 24748327) is 3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is YWHMOMBPOAVXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O3/c15-14(16,17)22-12-5-3-11(4-6-12)18-13(21)19-7-1-2-10(8-19)9-20/h3-6,10,20H,1-2,7-9H2,(H,18,21).
What are the key properties of 3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 318.29 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 24748327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).