1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one

C21H25N3O — CID 4818334

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O/c1-17(21(25)24-12-11-18-7-5-6-10-20(18)24)22-13-15-23(16-14-22)19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3
InChIKeyVIGVYWOCZRVKPA-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.79
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one

1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 4818334) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID4818334
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25N3O/c1-17(21(25)24-12-11-18-7-5-6-10-20(18)24)22-13-15-23(16-14-22)19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3
InChIKeyVIGVYWOCZRVKPA-UHFFFAOYSA-N
XLogP2.79
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906465
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
CID 27206617
(2S)-2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 26383352
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 51168048
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9357311
1-(2,3-dihydroindol-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 18094610
(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9432303

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one (CID 4818334) is 1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one is CC(C(=O)N1CCc2ccccc21)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is VIGVYWOCZRVKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-17(21(25)24-12-11-18-7-5-6-10-20(18)24)22-13-15-23(16-14-22)19-8-3-2-4-9-19/h2-10,17H,11-16H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 335.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 4818334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).