1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C20H24N4O — CID 4880445

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24N4O/c1-16(20(25)24-11-9-17-6-2-3-7-18(17)24)22-12-14-23(15-13-22)19-8-4-5-10-21-19/h2-8,10,16H,9,11-15H2,1H3
InChIKeyWLGJNOJRFULNDH-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.18
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 4880445) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID4880445
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCc2ccccc21)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24N4O/c1-16(20(25)24-11-9-17-6-2-3-7-18(17)24)22-12-14-23(15-13-22)19-8-4-5-10-21-19/h2-8,10,16H,9,11-15H2,1H3
InChIKeyWLGJNOJRFULNDH-UHFFFAOYSA-N
XLogP2.18
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 4880445) is 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is CC(C(=O)N1CCc2ccccc21)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is WLGJNOJRFULNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16(20(25)24-11-9-17-6-2-3-7-18(17)24)22-12-14-23(15-13-22)19-8-4-5-10-21-19/h2-8,10,16H,9,11-15H2,1H3.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 336.44 g/mol, XLogP of 2.18, 3 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-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 4880445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).