1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea

C15H22FN3O — CID 59684910

IUPAC1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
SMILESCc1cc(CNC(=O)NC2CCN(C)CC2)ccc1F
InChIInChI=1S/C15H22FN3O/c1-11-9-12(3-4-14(11)16)10-17-15(20)18-13-5-7-19(2)8-6-13/h3-4,9,13H,5-8,10H2,1-2H3,(H2,17,18,20)
InChIKeyYCVBZACWPZKCMV-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.03
Rot. Bonds3

About 1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea

1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea (PubChem CID 59684910) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
PubChem CID59684910
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
SMILESCc1cc(CNC(=O)NC2CCN(C)CC2)ccc1F
InChIInChI=1S/C15H22FN3O/c1-11-9-12(3-4-14(11)16)10-17-15(20)18-13-5-7-19(2)8-6-13/h3-4,9,13H,5-8,10H2,1-2H3,(H2,17,18,20)
InChIKeyYCVBZACWPZKCMV-UHFFFAOYSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-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

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea (CID 59684910) is 1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea is Cc1cc(CNC(=O)NC2CCN(C)CC2)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is YCVBZACWPZKCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-11-9-12(3-4-14(11)16)10-17-15(20)18-13-5-7-19(2)8-6-13/h3-4,9,13H,5-8,10H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea?
1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 279.36 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 59684910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).