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

C17H25N3O — CID 1439229

IUPAC(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN([C@@H](C)C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-3-18-10-12-19(13-11-18)14(2)17(21)20-9-8-15-6-4-5-7-16(15)20/h4-7,14H,3,8-13H2,1-2H3/t14-/m0/s1
InChIKeyCFGRJFGTOBAVKI-AWEZNQCLSA-N
MW287.41 g/mol
LogP1.60
Rot. Bonds3

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

(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 1439229) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID1439229
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN([C@@H](C)C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-3-18-10-12-19(13-11-18)14(2)17(21)20-9-8-15-6-4-5-7-16(15)20/h4-7,14H,3,8-13H2,1-2H3/t14-/m0/s1
InChIKeyCFGRJFGTOBAVKI-AWEZNQCLSA-N
XLogP1.60
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9207032
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 9357373
2-[4-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 86923494
ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 78786194
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906465
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9357311
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 51271595

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one (CID 1439229) is (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN([C@@H](C)C(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is CFGRJFGTOBAVKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-18-10-12-19(13-11-18)14(2)17(21)20-9-8-15-6-4-5-7-16(15)20/h4-7,14H,3,8-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one?
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 287.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 1439229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).