1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea

C27H30N4O4 — CID 1056825

IUPAC1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c(OC)c1
InChIInChI=1S/C27H30N4O4/c1-19-6-4-5-7-23(19)26(32)31-16-14-30(15-17-31)21-10-8-20(9-11-21)28-27(33)29-24-13-12-22(34-2)18-25(24)35-3/h4-13,18H,14-17H2,1-3H3,(H2,28,29,33)
InChIKeyHKEUQZRCMZLRRQ-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.62
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea

1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea (PubChem CID 1056825) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea
PubChem CID1056825
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c(OC)c1
InChIInChI=1S/C27H30N4O4/c1-19-6-4-5-7-23(19)26(32)31-16-14-30(15-17-31)21-10-8-20(9-11-21)28-27(33)29-24-13-12-22(34-2)18-25(24)35-3/h4-13,18H,14-17H2,1-3H3,(H2,28,29,33)
InChIKeyHKEUQZRCMZLRRQ-UHFFFAOYSA-N
XLogP4.62
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
1-(2,4-dimethoxyphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea
CID 3537073
2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500933
2-methoxy-3-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 2948670
1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]urea
CID 1064665
2,6-dimethoxy-N-[[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
CID 21167344
1-(2,4-dimethoxyphenyl)-3-[4-(3-methoxypyrrolidin-1-yl)phenyl]urea
CID 90595543
3,4-dimethyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 4500935
(2S)-2-chloro-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 1056129
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 17313637

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea (CID 1056825) is 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea is COc1ccc(NC(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea?
The InChIKey is HKEUQZRCMZLRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-19-6-4-5-7-23(19)26(32)31-16-14-30(15-17-31)21-10-8-20(9-11-21)28-27(33)29-24-13-12-22(34-2)18-25(24)35-3/h4-13,18H,14-17H2,1-3H3,(H2,28,29,33).
What are the key properties of 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea?
1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea has a molecular weight of 474.56 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-3-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]urea is sourced from PubChem (CID 1056825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).