1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea

C26H27ClN4O3 — CID 174499120

IUPAC1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
SMILESCOc1cccc(N2CCN(C(=O)C(NC(=O)Nc3ccc(Cl)cc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H27ClN4O3/c1-34-23-9-5-8-22(18-23)30-14-16-31(17-15-30)25(32)24(19-6-3-2-4-7-19)29-26(33)28-21-12-10-20(27)11-13-21/h2-13,18,24H,14-17H2,1H3,(H2,28,29,33)
InChIKeyCFCUDYNXNHSNIV-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.56
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea

1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea (PubChem CID 174499120) has the molecular formula C26H27ClN4O3 and a molecular weight of 478.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
PubChem CID174499120
Molecular FormulaC26H27ClN4O3
Molecular Weight478.98 g/mol
Exact Mass478.18
IUPAC Name1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
SMILESCOc1cccc(N2CCN(C(=O)C(NC(=O)Nc3ccc(Cl)cc3)c3ccccc3)CC2)c1
InChIInChI=1S/C26H27ClN4O3/c1-34-23-9-5-8-22(18-23)30-14-16-31(17-15-30)25(32)24(19-6-3-2-4-7-19)29-26(33)28-21-12-10-20(27)11-13-21/h2-13,18,24H,14-17H2,1H3,(H2,28,29,33)
InChIKeyCFCUDYNXNHSNIV-UHFFFAOYSA-N
XLogP4.56
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
CID 67164199
1-(4-chlorophenyl)-3-[(1R)-2-[4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea
CID 58857995
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 44901895
1,3-bis[4-(3-chlorophenyl)piperazin-1-yl]-2-phenylpropane-1,3-dione
CID 3394778
N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
(E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51161508
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 42904601
N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 38574785
N-(4-anilinophenyl)-4-(3-methoxyphenyl)piperazine-1-carbothioamide
CID 3890089
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea (CID 174499120) is 1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea is COc1cccc(N2CCN(C(=O)C(NC(=O)Nc3ccc(Cl)cc3)c3ccccc3)CC2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea?
The InChIKey is CFCUDYNXNHSNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3/c1-34-23-9-5-8-22(18-23)30-14-16-31(17-15-30)25(32)24(19-6-3-2-4-7-19)29-26(33)28-21-12-10-20(27)11-13-21/h2-13,18,24H,14-17H2,1H3,(H2,28,29,33).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea?
1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea has a molecular weight of 478.98 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxo-1-phenylethyl]urea is sourced from PubChem (CID 174499120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).