5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one

C21H24ClN3O — CID 164621627

IUPAC5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccc(Cl)cc2CC1CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H24ClN3O/c22-18-6-7-19-17(15-18)14-16(21(19)26)4-3-9-24-10-12-25(13-11-24)20-5-1-2-8-23-20/h1-2,5-8,15-16H,3-4,9-14H2
InChIKeyQIWDESFBOGLASL-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.69
Rot. Bonds5

About 5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one

5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one (PubChem CID 164621627) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one
PubChem CID164621627
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one
SMILESO=C1c2ccc(Cl)cc2CC1CCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C21H24ClN3O/c22-18-6-7-19-17(15-18)14-16(21(19)26)4-3-9-24-10-12-25(13-11-24)20-5-1-2-8-23-20/h1-2,5-8,15-16H,3-4,9-14H2
InChIKeyQIWDESFBOGLASL-UHFFFAOYSA-N
XLogP3.69
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one (CID 164621627) is 5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one is O=C1c2ccc(Cl)cc2CC1CCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one?
The InChIKey is QIWDESFBOGLASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-18-6-7-19-17(15-18)14-16(21(19)26)4-3-9-24-10-12-25(13-11-24)20-5-1-2-8-23-20/h1-2,5-8,15-16H,3-4,9-14H2.
What are the key properties of 5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one?
5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one has a molecular weight of 369.90 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 164621627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).