1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione

C21H23N3O4 — CID 108950845

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione
SMILESCC1Cc2ccccc2N1C(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H23N3O4/c1-15-13-16-5-2-3-6-17(16)24(15)20(26)14-19(25)22-8-10-23(11-9-22)21(27)18-7-4-12-28-18/h2-7,12,15H,8-11,13-14H2,1H3
InChIKeyLGHLZLKKCWGFET-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.93
Rot. Bonds3

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione

1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione (PubChem CID 108950845) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione
PubChem CID108950845
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione
SMILESCC1Cc2ccccc2N1C(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H23N3O4/c1-15-13-16-5-2-3-6-17(16)24(15)20(26)14-19(25)22-8-10-23(11-9-22)21(27)18-7-4-12-28-18/h2-7,12,15H,8-11,13-14H2,1H3
InChIKeyLGHLZLKKCWGFET-UHFFFAOYSA-N
XLogP1.93
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-carbonyl)-2-methyl-2,3-dihydroindole-1-carboxamide
CID 110866629
N-[(2S)-2-methyl-2,3-dihydroindole-1-carbothioyl]furan-2-carboxamide
CID 2374481
N-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylphenyl]furan-2-carboxamide
CID 3186964
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-propan-2-ylpropanamide
CID 108940840
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
N-butan-2-yl-3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropanamide
CID 108941800
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(prop-2-ynylamino)ethanone
CID 78912909
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 41325271
2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 112829151
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione (CID 108950845) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione is CC1Cc2ccccc2N1C(=O)CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione?
The InChIKey is LGHLZLKKCWGFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-15-13-16-5-2-3-6-17(16)24(15)20(26)14-19(25)22-8-10-23(11-9-22)21(27)18-7-4-12-28-18/h2-7,12,15H,8-11,13-14H2,1H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione has a molecular weight of 381.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(2-methyl-2,3-dihydroindol-1-yl)propane-1,3-dione is sourced from PubChem (CID 108950845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).