2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone

C20H25N3O2 — CID 36880743

IUPAC2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN1CCN(C(=O)C2CCCC2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H25N3O2/c24-19(17-13-21-18-8-4-3-7-16(17)18)14-22-9-11-23(12-10-22)20(25)15-5-1-2-6-15/h3-4,7-8,13,15,21H,1-2,5-6,9-12,14H2
InChIKeyCFVDSISJTKYCDR-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.68
Rot. Bonds4

About 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone (PubChem CID 36880743) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
PubChem CID36880743
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN1CCN(C(=O)C2CCCC2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H25N3O2/c24-19(17-13-21-18-8-4-3-7-16(17)18)14-22-9-11-23(12-10-22)20(25)15-5-1-2-6-15/h3-4,7-8,13,15,21H,1-2,5-6,9-12,14H2
InChIKeyCFVDSISJTKYCDR-UHFFFAOYSA-N
XLogP2.68
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754
2-[4-(2-bromobenzoyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 110659733
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylethanone
CID 110366202
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
CID 78950336
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 945225
1-(1H-indol-3-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31872453
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone (CID 36880743) is 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone is O=C(CN1CCN(C(=O)C2CCCC2)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
The InChIKey is CFVDSISJTKYCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19(17-13-21-18-8-4-3-7-16(17)18)14-22-9-11-23(12-10-22)20(25)15-5-1-2-6-15/h3-4,7-8,13,15,21H,1-2,5-6,9-12,14H2.
What are the key properties of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone?
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 36880743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).