1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione

C27H30N4O4 — CID 41429555

IUPAC1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
SMILESCOc1ccc(N2CCN(C(=O)C(=O)c3cn(CC(=O)N4CCCC4)c4ccccc34)CC2)cc1
InChIInChI=1S/C27H30N4O4/c1-35-21-10-8-20(9-11-21)28-14-16-30(17-15-28)27(34)26(33)23-18-31(24-7-3-2-6-22(23)24)19-25(32)29-12-4-5-13-29/h2-3,6-11,18H,4-5,12-17,19H2,1H3
InChIKeyNHERUOCDPMRJDF-UHFFFAOYSA-N
MW474.56 g/mol
LogP2.80
Rot. Bonds6

About 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione

1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione (PubChem CID 41429555) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
PubChem CID41429555
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
SMILESCOc1ccc(N2CCN(C(=O)C(=O)c3cn(CC(=O)N4CCCC4)c4ccccc34)CC2)cc1
InChIInChI=1S/C27H30N4O4/c1-35-21-10-8-20(9-11-21)28-14-16-30(17-15-28)27(34)26(33)23-18-31(24-7-3-2-6-22(23)24)19-25(32)29-12-4-5-13-29/h2-3,6-11,18H,4-5,12-17,19H2,1H3
InChIKeyNHERUOCDPMRJDF-UHFFFAOYSA-N
XLogP2.80
TPSA75.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Jwh 250
CID 44397540
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
SR-18
CID 53394099
Del-22379
CID 11224574
N-(1-Isopropylpiperidin-4-YL)-1-(3-methoxybenzyl)-1H-indole-2-carboxamide
CID 6540267
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674
2,5-Dihydro-2-(4-methoxyphenyl)-3H-pyrazolo(4,3-c)quinolin-3-one
CID 100812
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione?
The IUPAC name of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione (CID 41429555) is 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione.
What is the SMILES notation for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione?
The canonical SMILES for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione is COc1ccc(N2CCN(C(=O)C(=O)c3cn(CC(=O)N4CCCC4)c4ccccc34)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione?
The InChIKey is NHERUOCDPMRJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-35-21-10-8-20(9-11-21)28-14-16-30(17-15-28)27(34)26(33)23-18-31(24-7-3-2-6-22(23)24)19-25(32)29-12-4-5-13-29/h2-3,6-11,18H,4-5,12-17,19H2,1H3.
What are the key properties of 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione?
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione has a molecular weight of 474.56 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]ethane-1,2-dione is sourced from PubChem (CID 41429555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).