1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C20H24N4O2 — CID 136545295

IUPAC1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CC(CO)c2ccccc21
InChIInChI=1S/C20H24N4O2/c25-15-16-13-24(18-6-2-1-5-17(16)18)20(26)14-22-9-11-23(12-10-22)19-7-3-4-8-21-19/h1-8,16,25H,9-15H2
InChIKeyOLNCISYXXDQJIA-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.33
Rot. Bonds4

About 1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 136545295) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID136545295
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ccccn2)CC1)N1CC(CO)c2ccccc21
InChIInChI=1S/C20H24N4O2/c25-15-16-13-24(18-6-2-1-5-17(16)18)20(26)14-22-9-11-23(12-10-22)19-7-3-4-8-21-19/h1-8,16,25H,9-15H2
InChIKeyOLNCISYXXDQJIA-UHFFFAOYSA-N
XLogP1.33
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 128988151
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
1-[(4S)-4-hydroxy-1,2-oxazolidin-2-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 1483802
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
1-(5-bromothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228330
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 120817988

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 136545295) is 1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ccccn2)CC1)N1CC(CO)c2ccccc21.
What is the InChIKey of 1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is OLNCISYXXDQJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-15-16-13-24(18-6-2-1-5-17(16)18)20(26)14-22-9-11-23(12-10-22)19-7-3-4-8-21-19/h1-8,16,25H,9-15H2.
What are the key properties of 1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 352.44 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 136545295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).