1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

C20H23N3O3 — CID 37376175

IUPAC1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(c1ccco1)N1CCN(CCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C20H23N3O3/c24-19(23-10-7-16-4-1-2-5-17(16)23)8-9-21-11-13-22(14-12-21)20(25)18-6-3-15-26-18/h1-6,15H,7-14H2
InChIKeyDOQRGDLCUSVEBA-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.02
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 37376175) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID37376175
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(c1ccco1)N1CCN(CCC(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C20H23N3O3/c24-19(23-10-7-16-4-1-2-5-17(16)23)8-9-21-11-13-22(14-12-21)20(25)18-6-3-15-26-18/h1-6,15H,7-14H2
InChIKeyDOQRGDLCUSVEBA-UHFFFAOYSA-N
XLogP2.02
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109024404
3-(4-acetylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665042
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109024550
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 24674722
1-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110665050
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 110665056
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] furan-2-carboxylate
CID 2429900
5-[4-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 30891811
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111167951

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (CID 37376175) is 1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is O=C(c1ccco1)N1CCN(CCC(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is DOQRGDLCUSVEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(23-10-7-16-4-1-2-5-17(16)23)8-9-21-11-13-22(14-12-21)20(25)18-6-3-15-26-18/h1-6,15H,7-14H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 353.42 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 37376175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).