1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea

C19H24N4O2 — CID 69451114

IUPAC1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
SMILESCOc1c(C)cccc1NC(=O)Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C19H24N4O2/c1-14-4-3-5-17(18(14)25-2)22-19(24)21-15-6-8-16(9-7-15)23-12-10-20-11-13-23/h3-9,20H,10-13H2,1-2H3,(H2,21,22,24)
InChIKeyBXOYDJHWVFFQCF-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.06
Rot. Bonds4

About 1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea

1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea (PubChem CID 69451114) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
PubChem CID69451114
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
SMILESCOc1c(C)cccc1NC(=O)Nc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C19H24N4O2/c1-14-4-3-5-17(18(14)25-2)22-19(24)21-15-6-8-16(9-7-15)23-12-10-20-11-13-23/h3-9,20H,10-13H2,1-2H3,(H2,21,22,24)
InChIKeyBXOYDJHWVFFQCF-UHFFFAOYSA-N
XLogP3.06
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816
1-(2-fluorophenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69452265
1-(2-ethoxyphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69448711
1-(2,6-dimethylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991406
N'-(3-methoxy-2,5-dimethylphenyl)-N-(4-piperazin-1-ylphenyl)oxamide
CID 167885279
1-(2-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992011
2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2948670
2-bromo-N-(4-piperazin-1-ylphenyl)propanamide
CID 57161707
1-(2-ethyl-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991582
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992500
N-(2,6-dimethylphenyl)-4-[4-[(2-ethoxyphenyl)carbamoylamino]phenyl]piperazine-1-carboxamide
CID 90750957
N'-(2,3-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108986873

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea?
The IUPAC name of 1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea (CID 69451114) is 1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea.
What is the SMILES notation for 1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea?
The canonical SMILES for 1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea is COc1c(C)cccc1NC(=O)Nc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea?
The InChIKey is BXOYDJHWVFFQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-4-3-5-17(18(14)25-2)22-19(24)21-15-6-8-16(9-7-15)23-12-10-20-11-13-23/h3-9,20H,10-13H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea?
1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea has a molecular weight of 340.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea is sourced from PubChem (CID 69451114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).