1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea

C23H28N4O5 — CID 55978483

IUPAC1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CNC(=O)Nc3cccc(C)c3)CC2)c(OC)c1
InChIInChI=1S/C23H28N4O5/c1-16-5-4-6-17(13-16)25-23(30)24-15-21(28)26-9-11-27(12-10-26)22(29)19-8-7-18(31-2)14-20(19)32-3/h4-8,13-14H,9-12,15H2,1-3H3,(H2,24,25,30)
InChIKeyCOZZAQCIQFEBJE-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.12
Rot. Bonds6

About 1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea

1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea (PubChem CID 55978483) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is 1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea
PubChem CID55978483
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Name1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea
SMILESCOc1ccc(C(=O)N2CCN(C(=O)CNC(=O)Nc3cccc(C)c3)CC2)c(OC)c1
InChIInChI=1S/C23H28N4O5/c1-16-5-4-6-17(13-16)25-23(30)24-15-21(28)26-9-11-27(12-10-26)22(29)19-8-7-18(31-2)14-20(19)32-3/h4-8,13-14H,9-12,15H2,1-3H3,(H2,24,25,30)
InChIKeyCOZZAQCIQFEBJE-UHFFFAOYSA-N
XLogP2.12
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 55953824
4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110812395
N-[3-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55953436
[4-(2-aminobenzoyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119944903
1-(3-methylphenyl)-3-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]urea
CID 55678721
N-[3-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]acetamide
CID 55903055
4-(2,4-dimethoxybenzoyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 51089081
1-[2-[(3-methylphenyl)carbamoylamino]acetyl]pyrrolidine-3-carboxylic acid
CID 119353854
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]sulfonyl-N-(3-methylphenyl)acetamide
CID 23409030
ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
(2S)-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-methylbutan-1-one
CID 94636730
(2R)-2-amino-1-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 119300869

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea (CID 55978483) is 1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea is COc1ccc(C(=O)N2CCN(C(=O)CNC(=O)Nc3cccc(C)c3)CC2)c(OC)c1.
What is the InChIKey of 1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea?
The InChIKey is COZZAQCIQFEBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-16-5-4-6-17(13-16)25-23(30)24-15-21(28)26-9-11-27(12-10-26)22(29)19-8-7-18(31-2)14-20(19)32-3/h4-8,13-14H,9-12,15H2,1-3H3,(H2,24,25,30).
What are the key properties of 1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea?
1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea has a molecular weight of 440.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,4-dimethoxybenzoyl)piperazin-1-yl]-2-oxoethyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 55978483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).