1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone

C28H34N4O2 — CID 17441584

IUPAC1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)CN2CCN(CC(=O)N3CCCC3)CC2)c2ccccc21
InChIInChI=1S/C28H34N4O2/c1-2-32-24-13-7-6-12-23(24)27(28(32)22-10-4-3-5-11-22)25(33)20-29-16-18-30(19-17-29)21-26(34)31-14-8-9-15-31/h3-7,10-13H,2,8-9,14-21H2,1H3
InChIKeyCVEQEBAZHXVGOD-UHFFFAOYSA-N
MW458.61 g/mol
LogP3.75
Rot. Bonds7

About 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone

1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone (PubChem CID 17441584) has the molecular formula C28H34N4O2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
PubChem CID17441584
Molecular FormulaC28H34N4O2
Molecular Weight458.61 g/mol
Exact Mass458.27
IUPAC Name1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
SMILESCCn1c(-c2ccccc2)c(C(=O)CN2CCN(CC(=O)N3CCCC3)CC2)c2ccccc21
InChIInChI=1S/C28H34N4O2/c1-2-32-24-13-7-6-12-23(24)27(28(32)22-10-4-3-5-11-22)25(33)20-29-16-18-30(19-17-29)21-26(34)31-14-8-9-15-31/h3-7,10-13H,2,8-9,14-21H2,1H3
InChIKeyCVEQEBAZHXVGOD-UHFFFAOYSA-N
XLogP3.75
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 2406607
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CID 87017632
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethyl-2-phenylindol-3-yl)ethanone
CID 4852617
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 30741257
2-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3295430
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone
CID 154139542
2-[4-[(3-ethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 35952699
1-[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl]-5-nitropyridin-2-one
CID 7681379
2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 3159855
3-[2-(azepan-1-yl)-2-oxoethyl]-1-ethylindole-2-carboxylic acid
CID 15999504
[2-(1-ethyl-2-phenylindol-3-yl)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 4836979

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone (CID 17441584) is 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone is CCn1c(-c2ccccc2)c(C(=O)CN2CCN(CC(=O)N3CCCC3)CC2)c2ccccc21.
What is the InChIKey of 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is CVEQEBAZHXVGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O2/c1-2-32-24-13-7-6-12-23(24)27(28(32)22-10-4-3-5-11-22)25(33)20-29-16-18-30(19-17-29)21-26(34)31-14-8-9-15-31/h3-7,10-13H,2,8-9,14-21H2,1H3.
What are the key properties of 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone?
1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 458.61 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 17441584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).