1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea

C23H26N4O — CID 56505401

IUPAC1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea
SMILESO=C(Nc1cccc(-n2cccc2)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N4O/c28-23(25-21-9-6-10-22(17-21)27-13-4-5-14-27)24-20-11-15-26(16-12-20)18-19-7-2-1-3-8-19/h1-10,13-14,17,20H,11-12,15-16,18H2,(H2,24,25,28)
InChIKeyXGNKUIUINUHCLE-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.26
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea

1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea (PubChem CID 56505401) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea
PubChem CID56505401
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea
SMILESO=C(Nc1cccc(-n2cccc2)c1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26N4O/c28-23(25-21-9-6-10-22(17-21)27-13-4-5-14-27)24-20-11-15-26(16-12-20)18-19-7-2-1-3-8-19/h1-10,13-14,17,20H,11-12,15-16,18H2,(H2,24,25,28)
InChIKeyXGNKUIUINUHCLE-UHFFFAOYSA-N
XLogP4.26
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)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-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea (CID 56505401) is 1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea is O=C(Nc1cccc(-n2cccc2)c1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea?
The InChIKey is XGNKUIUINUHCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-23(25-21-9-6-10-22(17-21)27-13-4-5-14-27)24-20-11-15-26(16-12-20)18-19-7-2-1-3-8-19/h1-10,13-14,17,20H,11-12,15-16,18H2,(H2,24,25,28).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea?
1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea has a molecular weight of 374.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(3-pyrrol-1-ylphenyl)urea is sourced from PubChem (CID 56505401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).