1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone

C20H31N3O2 — CID 95332942

IUPAC1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
SMILESCCOCCN1CCN(CC(=O)N2CCc3ccccc32)C[C@H]1CC
InChIInChI=1S/C20H31N3O2/c1-3-18-15-21(11-12-22(18)13-14-25-4-2)16-20(24)23-10-9-17-7-5-6-8-19(17)23/h5-8,18H,3-4,9-16H2,1-2H3/t18-/m1/s1
InChIKeyIDXZDTCCJKSLNE-GOSISDBHSA-N
MW345.49 g/mol
LogP2.01
Rot. Bonds7

About 1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone (PubChem CID 95332942) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
PubChem CID95332942
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
SMILESCCOCCN1CCN(CC(=O)N2CCc3ccccc32)C[C@H]1CC
InChIInChI=1S/C20H31N3O2/c1-3-18-15-21(11-12-22(18)13-14-25-4-2)16-20(24)23-10-9-17-7-5-6-8-19(17)23/h5-8,18H,3-4,9-16H2,1-2H3/t18-/m1/s1
InChIKeyIDXZDTCCJKSLNE-GOSISDBHSA-N
XLogP2.01
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(azetidin-1-yl)-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone
CID 95331832
2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95317623
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]acetamide
CID 95331862
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655
2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 95350413
1-(2,3-dihydroindol-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119927826
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone (CID 95332942) is 1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone is CCOCCN1CCN(CC(=O)N2CCc3ccccc32)C[C@H]1CC.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone?
The InChIKey is IDXZDTCCJKSLNE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-3-18-15-21(11-12-22(18)13-14-25-4-2)16-20(24)23-10-9-17-7-5-6-8-19(17)23/h5-8,18H,3-4,9-16H2,1-2H3/t18-/m1/s1.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone has a molecular weight of 345.49 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[(3R)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]ethanone is sourced from PubChem (CID 95332942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).