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

C18H27N3O — CID 109017603

IUPAC1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCN2c3ccccc3CC2C)CC1
InChIInChI=1S/C18H27N3O/c1-3-19-10-12-20(13-11-19)18(22)8-9-21-15(2)14-16-6-4-5-7-17(16)21/h4-7,15H,3,8-14H2,1-2H3
InChIKeyRTXMARNBSVUOBU-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.99
Rot. Bonds4

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

1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 109017603) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
PubChem CID109017603
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)CCN2c3ccccc3CC2C)CC1
InChIInChI=1S/C18H27N3O/c1-3-19-10-12-20(13-11-19)18(22)8-9-21-15(2)14-16-6-4-5-7-17(16)21/h4-7,15H,3,8-14H2,1-2H3
InChIKeyRTXMARNBSVUOBU-UHFFFAOYSA-N
XLogP1.99
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 111539101
1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693452
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 7330983
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 95906955
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CID 7764901
N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]pyrrolidine-1-carboxamide
CID 155947049
N-(4-ethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)propanamide
CID 109036323
1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one (CID 109017603) is 1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is CCN1CCN(C(=O)CCN2c3ccccc3CC2C)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is RTXMARNBSVUOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-3-19-10-12-20(13-11-19)18(22)8-9-21-15(2)14-16-6-4-5-7-17(16)21/h4-7,15H,3,8-14H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one?
1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 301.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 109017603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).