1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea

C14H23N4O3+ — CID 7477694

IUPAC1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea
SMILESCOc1ccc(NC(=O)NN2CC[NH+](C)CC2)c(OC)c1
InChIInChI=1S/C14H22N4O3/c1-17-6-8-18(9-7-17)16-14(19)15-12-5-4-11(20-2)10-13(12)21-3/h4-5,10H,6-9H2,1-3H3,(H2,15,16,19)/p+1
InChIKeyLIKGBLIGWAQXIG-UHFFFAOYSA-O
MW295.36 g/mol
LogP-0.43
Rot. Bonds4

About 1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea

1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea (PubChem CID 7477694) has the molecular formula C14H23N4O3+ and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea
PubChem CID7477694
Molecular FormulaC14H23N4O3+
Molecular Weight295.36 g/mol
Exact Mass295.18
IUPAC Name1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea
SMILESCOc1ccc(NC(=O)NN2CC[NH+](C)CC2)c(OC)c1
InChIInChI=1S/C14H22N4O3/c1-17-6-8-18(9-7-17)16-14(19)15-12-5-4-11(20-2)10-13(12)21-3/h4-5,10H,6-9H2,1-3H3,(H2,15,16,19)/p+1
InChIKeyLIKGBLIGWAQXIG-UHFFFAOYSA-O
XLogP-0.43
TPSA67.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-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

1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea
CID 4743611
(2R)-2-[(2,4-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009289
2-(4-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)acetamide
CID 7027118
2-(azocan-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2655327
1-cyano-3-(2,4-dimethoxyphenyl)urea
CID 20559814
1-(2,4-dimethoxyphenyl)-3-(propan-2-ylideneamino)urea
CID 11988328
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 61148145
1-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,4-dimethoxyphenyl)urea
CID 5146476
1-(2,4-dimethoxyphenyl)-3-(4-iodophenyl)urea
CID 2209592
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)urea
CID 17378932
N-(2,4-dimethoxyphenyl)-2,2-dimethylpropanamide
CID 3713993

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea (CID 7477694) is 1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea is COc1ccc(NC(=O)NN2CC[NH+](C)CC2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea?
The InChIKey is LIKGBLIGWAQXIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H22N4O3/c1-17-6-8-18(9-7-17)16-14(19)15-12-5-4-11(20-2)10-13(12)21-3/h4-5,10H,6-9H2,1-3H3,(H2,15,16,19)/p+1.
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea?
1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea has a molecular weight of 295.36 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)urea is sourced from PubChem (CID 7477694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).