1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C18H21N5O — CID 2351747

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCc2ccccc21
InChIInChI=1S/C18H21N5O/c24-17(23-9-6-15-4-1-2-5-16(15)23)14-21-10-12-22(13-11-21)18-19-7-3-8-20-18/h1-5,7-8H,6,9-14H2
InChIKeySRAWRHVZGFTULN-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.19
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 2351747) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID2351747
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCN(c2ncccn2)CC1)N1CCc2ccccc21
InChIInChI=1S/C18H21N5O/c24-17(23-9-6-15-4-1-2-5-16(15)23)14-21-10-12-22(13-11-21)18-19-7-3-8-20-18/h1-5,7-8H,6,9-14H2
InChIKeySRAWRHVZGFTULN-UHFFFAOYSA-N
XLogP1.19
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 2351747) is 1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CN1CCN(c2ncccn2)CC1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is SRAWRHVZGFTULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-17(23-9-6-15-4-1-2-5-16(15)23)14-21-10-12-22(13-11-21)18-19-7-3-8-20-18/h1-5,7-8H,6,9-14H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 323.40 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 2351747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).