[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea

C14H18F3N3O2 — CID 75439246

IUPAC[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)22-12-3-1-2-10(8-12)9-20-6-4-11(5-7-20)19-13(18)21/h1-3,8,11H,4-7,9H2,(H3,18,19,21)
InChIKeyZKNPCIRUOMOKKQ-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.22
Rot. Bonds4

About [1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea

[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea (PubChem CID 75439246) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is [1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea
PubChem CID75439246
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F3N3O2/c15-14(16,17)22-12-3-1-2-10(8-12)9-20-6-4-11(5-7-20)19-13(18)21/h1-3,8,11H,4-7,9H2,(H3,18,19,21)
InChIKeyZKNPCIRUOMOKKQ-UHFFFAOYSA-N
XLogP2.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
CID 508745
1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 103840745
1-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 138381001
2-[(3S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]acetamide
CID 97160311
tert-butyl N-[1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]carbamate
CID 55921514
CID 174928959
CID 174928959
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811
N-[1-[[7-(2-methoxyethoxymethyl)naphthalen-2-yl]methyl]piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 24954046
N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 155353721
2,2-difluoro-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389197
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea?
The IUPAC name of [1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea (CID 75439246) is [1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea.
What is the SMILES notation for [1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea?
The canonical SMILES for [1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea is NC(=O)NC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of [1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea?
The InChIKey is ZKNPCIRUOMOKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c15-14(16,17)22-12-3-1-2-10(8-12)9-20-6-4-11(5-7-20)19-13(18)21/h1-3,8,11H,4-7,9H2,(H3,18,19,21).
What are the key properties of [1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea?
[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea has a molecular weight of 317.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]urea is sourced from PubChem (CID 75439246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).