1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea

C13H16F3N3O — CID 47133044

IUPAC1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea
SMILESCN1CCC(NC(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C13H16F3N3O/c1-19-6-4-8(5-7-19)17-13(20)18-10-3-2-9(14)11(15)12(10)16/h2-3,8H,4-7H2,1H3,(H2,17,18,20)
InChIKeyQZVJFPZPPJEANO-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.32
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea

1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 47133044) has the molecular formula C13H16F3N3O and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID47133044
Molecular FormulaC13H16F3N3O
Molecular Weight287.28 g/mol
Exact Mass287.12
IUPAC Name1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea
SMILESCN1CCC(NC(=O)Nc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C13H16F3N3O/c1-19-6-4-8(5-7-19)17-13(20)18-10-3-2-9(14)11(15)12(10)16/h2-3,8H,4-7H2,1H3,(H2,17,18,20)
InChIKeyQZVJFPZPPJEANO-UHFFFAOYSA-N
XLogP2.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)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

1-(oxolan-3-yl)-3-(2,3,4-trifluorophenyl)urea
CID 113321934
1-(2-cyano-4-fluorophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 78894638
1-(2,3-difluorophenyl)-3-(1-ethylpiperidin-4-yl)urea
CID 47456871
3-fluoro-4-[(1-methylpyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 63189763
1-(2-hydroxycyclohexyl)-3-(2,3,4-trifluorophenyl)urea
CID 75948763
2-(4-methylpiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 18078449
1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 99581606
ethyl 4-[[3-oxo-3-(2,3,4-trifluoroanilino)propanoyl]amino]piperidine-1-carboxylate
CID 108950288
1-(4-iodophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 47133004
2-[[N-(1-acetylpiperidin-4-yl)-N'-methylcarbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 119133307
1-cyclopentyl-3-(2,3,4-trifluorophenyl)thiourea
CID 116507277
(2S)-2-(azocan-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 2655376

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea (CID 47133044) is 1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea is CN1CCC(NC(=O)Nc2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is QZVJFPZPPJEANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c1-19-6-4-8(5-7-19)17-13(20)18-10-3-2-9(14)11(15)12(10)16/h2-3,8H,4-7H2,1H3,(H2,17,18,20).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea?
1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 287.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 47133044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).