2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

C21H27N3O2 — CID 47058306

IUPAC2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(C1CC=CCC1)N1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C21H27N3O2/c25-20(24-11-10-17-6-4-5-9-19(17)24)16-22-12-14-23(15-13-22)21(26)18-7-2-1-3-8-18/h1-2,4-6,9,18H,3,7-8,10-16H2
InChIKeyCAGSYIRKMXTYPR-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.08
Rot. Bonds3

About 2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 47058306) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID47058306
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(C1CC=CCC1)N1CCN(CC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C21H27N3O2/c25-20(24-11-10-17-6-4-5-9-19(17)24)16-22-12-14-23(15-13-22)21(26)18-7-2-1-3-8-18/h1-2,4-6,9,18H,3,7-8,10-16H2
InChIKeyCAGSYIRKMXTYPR-UHFFFAOYSA-N
XLogP2.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone with MolForge

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Related Compounds

[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 86847153
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methylcyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 75361771
cyclohex-3-en-1-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 162626054
1-(2,3-dihydroindol-1-yl)-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119857339
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665056
1-(2,3-dihydroindol-1-yl)-2-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 171326862
2-[4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;dihydrochloride
CID 119857318
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(thiomorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 165433433
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 163354238
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798614
N-[3-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]-3-oxopropyl]cyclohexanecarboxamide
CID 86902954

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 47058306) is 2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(C1CC=CCC1)N1CCN(CC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is CAGSYIRKMXTYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20(24-11-10-17-6-4-5-9-19(17)24)16-22-12-14-23(15-13-22)21(26)18-7-2-1-3-8-18/h1-2,4-6,9,18H,3,7-8,10-16H2.
What are the key properties of 2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 353.47 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 47058306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).