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

C21H23N3O2 — CID 29264486

IUPAC1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C21H23N3O2/c1-16(25)24-10-9-17-15-18(7-8-20(17)24)21(26)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-8,15H,9-14H2,1H3
InChIKeyIEEADFWTHMEABC-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.56
Rot. Bonds2

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

1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 29264486) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
PubChem CID29264486
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc21
InChIInChI=1S/C21H23N3O2/c1-16(25)24-10-9-17-15-18(7-8-20(17)24)21(26)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-8,15H,9-14H2,1H3
InChIKeyIEEADFWTHMEABC-UHFFFAOYSA-N
XLogP2.56
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 20866210
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762
1-[5-[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]-2,3-dihydroindol-1-yl]ethanone
CID 53109962
1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 38298373
1-[5-(4-cyclopentylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 134020729
1-[6-[4-(2,3-dichlorophenyl)piperazine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 171647739
1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 39441168
(4-amino-3-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 18069676
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
2-[4-(1-acetyl-2,3-dihydroindole-5-carbonyl)piperazin-1-yl]-N-cyclopropylacetamide
CID 24642612
1-[6-(morpholine-4-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014605

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone (CID 29264486) is 1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc21.
What is the InChIKey of 1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is IEEADFWTHMEABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16(25)24-10-9-17-15-18(7-8-20(17)24)21(26)23-13-11-22(12-14-23)19-5-3-2-4-6-19/h2-8,15H,9-14H2,1H3.
What are the key properties of 1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 349.43 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 29264486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).