2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide

C27H30N4O3 — CID 70587879

IUPAC2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
SMILESCOc1ccc(C(=O)C(CNc2ccccc2C(N)=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N4O3/c1-34-22-13-11-20(12-14-22)26(32)25(19-29-24-10-6-5-9-23(24)27(28)33)31-17-15-30(16-18-31)21-7-3-2-4-8-21/h2-14,25,29H,15-19H2,1H3,(H2,28,33)
InChIKeyVHAQOGGTFQTVCH-UHFFFAOYSA-N
MW458.56 g/mol
LogP3.28
Rot. Bonds9

About 2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide

2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide (PubChem CID 70587879) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
PubChem CID70587879
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
SMILESCOc1ccc(C(=O)C(CNc2ccccc2C(N)=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H30N4O3/c1-34-22-13-11-20(12-14-22)26(32)25(19-29-24-10-6-5-9-23(24)27(28)33)31-17-15-30(16-18-31)21-7-3-2-4-8-21/h2-14,25,29H,15-19H2,1H3,(H2,28,33)
InChIKeyVHAQOGGTFQTVCH-UHFFFAOYSA-N
XLogP3.28
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[3-(4-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70589627
2-[[3-(4-aminophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70587814
2-[[3-(4-chlorophenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70587712
2-[[3-(3-hydroxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70590944
methyl 4-methoxy-2-[[3-oxo-3-phenyl-2-(4-phenylpiperazin-1-yl)propyl]amino]benzoate
CID 70589210
2-[[3-(3-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide
CID 70587768
methyl 4-amino-2-[[3-oxo-3-phenyl-2-(4-phenylpiperazin-1-yl)propyl]amino]benzoate
CID 70589623
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 1374696
methyl 2-(4-phenylpiperazin-1-yl)pentanoate
CID 43906551
2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzamide;phosphoric acid
CID 70588001
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
The IUPAC name of 2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide (CID 70587879) is 2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide is COc1ccc(C(=O)C(CNc2ccccc2C(N)=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
The InChIKey is VHAQOGGTFQTVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-34-22-13-11-20(12-14-22)26(32)25(19-29-24-10-6-5-9-23(24)27(28)33)31-17-15-30(16-18-31)21-7-3-2-4-8-21/h2-14,25,29H,15-19H2,1H3,(H2,28,33).
What are the key properties of 2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide?
2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide has a molecular weight of 458.56 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)-3-oxo-2-(4-phenylpiperazin-1-yl)propyl]amino]benzamide is sourced from PubChem (CID 70587879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).