1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone

C20H27N3O2 — CID 134020729

IUPAC1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc21
InChIInChI=1S/C20H27N3O2/c1-15(24)23-9-8-16-14-17(6-7-19(16)23)20(25)22-12-10-21(11-13-22)18-4-2-3-5-18/h6-7,14,18H,2-5,8-13H2,1H3
InChIKeyNBVFVGJNWMSMTK-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.30
Rot. Bonds2

About 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone

1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 134020729) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID134020729
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc21
InChIInChI=1S/C20H27N3O2/c1-15(24)23-9-8-16-14-17(6-7-19(16)23)20(25)22-12-10-21(11-13-22)18-4-2-3-5-18/h6-7,14,18H,2-5,8-13H2,1H3
InChIKeyNBVFVGJNWMSMTK-UHFFFAOYSA-N
XLogP2.30
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 55981657
1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 24642612
1-[6-(4-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014603
ethyl 1-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperidine-3-carboxylate
CID 47016940
tert-butyl N-[[1-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperidin-4-yl]methyl]carbamate
CID 52819846
1-[5-(cyclopentylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684604
1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 39441168
1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 38298373
2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 55451765
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 171647739

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone (CID 134020729) is 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C(=O)N3CCN(C4CCCC4)CC3)ccc21.
What is the InChIKey of 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is NBVFVGJNWMSMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(24)23-9-8-16-14-17(6-7-19(16)23)20(25)22-12-10-21(11-13-22)18-4-2-3-5-18/h6-7,14,18H,2-5,8-13H2,1H3.
What are the key properties of 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 341.46 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 134020729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).