2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid

C19H27N3O5 — CID 2989685

IUPAC2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid
SMILESCCN1CCN(CC(=O)N2c3ccccc3CC2C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H25N3O.C2H2O4/c1-3-18-8-10-19(11-9-18)13-17(21)20-14(2)12-15-6-4-5-7-16(15)20;3-1(4)2(5)6/h4-7,14H,3,8-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyWKLLEOHEJSQEDO-UHFFFAOYSA-N
MW377.44 g/mol
LogP0.76
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid

2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid (PubChem CID 2989685) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid
PubChem CID2989685
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid
SMILESCCN1CCN(CC(=O)N2c3ccccc3CC2C)CC1.O=C(O)C(=O)O
InChIInChI=1S/C17H25N3O.C2H2O4/c1-3-18-8-10-19(11-9-18)13-17(21)20-14(2)12-15-6-4-5-7-16(15)20;3-1(4)2(5)6/h4-7,14H,3,8-13H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyWKLLEOHEJSQEDO-UHFFFAOYSA-N
XLogP0.76
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Indoline, 1-piperidinoacetyl-
CID 41913
N-ethyl-2-(4-methylpiperazin-1-yl)-N-naphthalen-1-ylacetamide;oxalic acid
CID 2997602
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CID 2816386
2-(4-Benzylpiperazin-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4839240
2-Methyl-1-[(4-methylpiperidin-1-yl)acetyl]indoline
CID 16187662
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 9799123
2-[4-(4-Fluoro-benzyl)-piperazin-1-yl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 44335924
2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-((R)-2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 44336061
1-[2-(2-methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 5296277
1-(2-Methyl-2,3-dihydro-1H-indol-1-yl)-2-(piperidin-1-yl)ethan-1-onato
CID 43095
8-fluoro-5-(4-fluorophenyl)-1-(1-pyrrolidinylacetyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 15945701
Ethyl 4-(2-(2-methylindolin-1-yl)-2-oxoethyl)piperazine-1-carboxylate oxalate
CID 666921

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid (CID 2989685) is 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid is CCN1CCN(CC(=O)N2c3ccccc3CC2C)CC1.O=C(O)C(=O)O.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid?
The InChIKey is WKLLEOHEJSQEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.C2H2O4/c1-3-18-8-10-19(11-9-18)13-17(21)20-14(2)12-15-6-4-5-7-16(15)20;3-1(4)2(5)6/h4-7,14H,3,8-13H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid?
2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid has a molecular weight of 377.44 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;oxalic acid is sourced from PubChem (CID 2989685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).