1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea

C17H25N3O2 — CID 71846144

IUPAC1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea
SMILESCc1cccc(NC(=O)NC2CCN(C3CCOC3)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-13-3-2-4-15(11-13)19-17(21)18-14-5-8-20(9-6-14)16-7-10-22-12-16/h2-4,11,14,16H,5-10,12H2,1H3,(H2,18,19,21)
InChIKeyFDYOZDJRGYCTGC-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.37
Rot. Bonds3

About 1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea

1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea (PubChem CID 71846144) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea
PubChem CID71846144
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea
SMILESCc1cccc(NC(=O)NC2CCN(C3CCOC3)CC2)c1
InChIInChI=1S/C17H25N3O2/c1-13-3-2-4-15(11-13)19-17(21)18-14-5-8-20(9-6-14)16-7-10-22-12-16/h2-4,11,14,16H,5-10,12H2,1H3,(H2,18,19,21)
InChIKeyFDYOZDJRGYCTGC-UHFFFAOYSA-N
XLogP2.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3-methylphenyl)-3-[1-(oxolan-3-yl)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

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea (CID 71846144) is 1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea is Cc1cccc(NC(=O)NC2CCN(C3CCOC3)CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea?
The InChIKey is FDYOZDJRGYCTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13-3-2-4-15(11-13)19-17(21)18-14-5-8-20(9-6-14)16-7-10-22-12-16/h2-4,11,14,16H,5-10,12H2,1H3,(H2,18,19,21).
What are the key properties of 1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea?
1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea has a molecular weight of 303.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[1-(oxolan-3-yl)piperidin-4-yl]urea is sourced from PubChem (CID 71846144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).