1-methyl-3-(4-phenylpiperazin-1-yl)urea

C12H18N4O — CID 119088548

IUPAC1-methyl-3-(4-phenylpiperazin-1-yl)urea
SMILESCNC(=O)NN1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H18N4O/c1-13-12(17)14-16-9-7-15(8-10-16)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,13,14,17)
InChIKeyVAZKMZDQGBFWAA-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.65
Rot. Bonds2

About 1-methyl-3-(4-phenylpiperazin-1-yl)urea

1-methyl-3-(4-phenylpiperazin-1-yl)urea (PubChem CID 119088548) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-methyl-3-(4-phenylpiperazin-1-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(4-phenylpiperazin-1-yl)urea
PubChem CID119088548
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-methyl-3-(4-phenylpiperazin-1-yl)urea
SMILESCNC(=O)NN1CCN(c2ccccc2)CC1
InChIInChI=1S/C12H18N4O/c1-13-12(17)14-16-9-7-15(8-10-16)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,13,14,17)
InChIKeyVAZKMZDQGBFWAA-UHFFFAOYSA-N
XLogP0.65
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-3-(4-phenylpiperazin-1-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

Related Compounds

N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
N-(4-phenylpiperazin-1-yl)nitrous amide
CID 87189077
[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]propanamide
CID 2988409

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-phenylpiperazin-1-yl)urea?
The IUPAC name of 1-methyl-3-(4-phenylpiperazin-1-yl)urea (CID 119088548) is 1-methyl-3-(4-phenylpiperazin-1-yl)urea.
What is the SMILES notation for 1-methyl-3-(4-phenylpiperazin-1-yl)urea?
The canonical SMILES for 1-methyl-3-(4-phenylpiperazin-1-yl)urea is CNC(=O)NN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-3-(4-phenylpiperazin-1-yl)urea?
The InChIKey is VAZKMZDQGBFWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-13-12(17)14-16-9-7-15(8-10-16)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,13,14,17).
What are the key properties of 1-methyl-3-(4-phenylpiperazin-1-yl)urea?
1-methyl-3-(4-phenylpiperazin-1-yl)urea has a molecular weight of 234.30 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-phenylpiperazin-1-yl)urea is sourced from PubChem (CID 119088548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).