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

C21H28N4O2 — CID 5307861

IUPAC1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea
SMILESCCN1CCN(Cc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C21H28N4O2/c1-3-24-12-14-25(15-13-24)16-17-4-6-18(7-5-17)22-21(26)23-19-8-10-20(27-2)11-9-19/h4-11H,3,12-16H2,1-2H3,(H2,22,23,26)
InChIKeyZPFXHRBTBYYWLJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.48
Rot. Bonds6

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

1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea (PubChem CID 5307861) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea
PubChem CID5307861
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea
SMILESCCN1CCN(Cc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C21H28N4O2/c1-3-24-12-14-25(15-13-24)16-17-4-6-18(7-5-17)22-21(26)23-19-8-10-20(27-2)11-9-19/h4-11H,3,12-16H2,1-2H3,(H2,22,23,26)
InChIKeyZPFXHRBTBYYWLJ-UHFFFAOYSA-N
XLogP3.48
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-Piperidinecarboxamide, N-(4-methoxyphenyl)-
CID 200753
N,N'-(Di-p-methoxyphenyl)urea
CID 136951
1-(4-(3-Morpholinopropoxy)phenyl)-3-phenylurea
CID 25014697
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methoxy-phenyl)-urea
CID 11363006
(5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 22879211
1-(4-(3-Morpholinopropoxy)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 25014776
N-(2-methoxyphenyl)-N'-(2-phenylethyl)urea
CID 853786
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
N-{4-[4-(4-methoxyphenyl)-1-piperazinyl]phenyl}hydrazinecarboxamide
CID 820816

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea (CID 5307861) is 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea is CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea?
The InChIKey is ZPFXHRBTBYYWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-24-12-14-25(15-13-24)16-17-4-6-18(7-5-17)22-21(26)23-19-8-10-20(27-2)11-9-19/h4-11H,3,12-16H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea?
1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea has a molecular weight of 368.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 5307861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).