2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone

C18H27N3O — CID 78079114

IUPAC2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1CN(CC(=O)N2CCc3ccc(C(C)C)cc32)CCN1
InChIInChI=1S/C18H27N3O/c1-13(2)16-5-4-15-6-8-21(17(15)10-16)18(22)12-20-9-7-19-14(3)11-20/h4-5,10,13-14,19H,6-9,11-12H2,1-3H3
InChIKeyRTMLXSAEKOYYRI-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.99
Rot. Bonds3

About 2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone

2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone (PubChem CID 78079114) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone
PubChem CID78079114
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone
SMILESCC1CN(CC(=O)N2CCc3ccc(C(C)C)cc32)CCN1
InChIInChI=1S/C18H27N3O/c1-13(2)16-5-4-15-6-8-21(17(15)10-16)18(22)12-20-9-7-19-14(3)11-20/h4-5,10,13-14,19H,6-9,11-12H2,1-3H3
InChIKeyRTMLXSAEKOYYRI-UHFFFAOYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone (CID 78079114) is 2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone is CC1CN(CC(=O)N2CCc3ccc(C(C)C)cc32)CCN1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone?
The InChIKey is RTMLXSAEKOYYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13(2)16-5-4-15-6-8-21(17(15)10-16)18(22)12-20-9-7-19-14(3)11-20/h4-5,10,13-14,19H,6-9,11-12H2,1-3H3.
What are the key properties of 2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone?
2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone has a molecular weight of 301.43 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 78079114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).