1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea

C20H26N4O — CID 5307426

IUPAC1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea
SMILESCCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C20H26N4O/c1-2-23-12-14-24(15-13-23)16-17-8-10-19(11-9-17)22-20(25)21-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H2,21,22,25)
InChIKeyRKLFXNKDIQRATO-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.47
Rot. Bonds5

About 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea

1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea (PubChem CID 5307426) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea
PubChem CID5307426
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea
SMILESCCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C20H26N4O/c1-2-23-12-14-24(15-13-23)16-17-8-10-19(11-9-17)22-20(25)21-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H2,21,22,25)
InChIKeyRKLFXNKDIQRATO-UHFFFAOYSA-N
XLogP3.47
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea 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-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea (CID 5307426) is 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea is CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea?
The InChIKey is RKLFXNKDIQRATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-23-12-14-24(15-13-23)16-17-8-10-19(11-9-17)22-20(25)21-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H2,21,22,25).
What are the key properties of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea?
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea has a molecular weight of 338.46 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-phenylurea is sourced from PubChem (CID 5307426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).