3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one

C19H21N3O — CID 11141324

IUPAC3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
SMILESO=C1CC(CN2CCN(c3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C19H21N3O/c23-18-13-15(16-5-1-2-6-17(16)18)14-21-9-11-22(12-10-21)19-7-3-4-8-20-19/h1-8,15H,9-14H2
InChIKeyWFNOTNPRCDADTF-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.57
Rot. Bonds3

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

3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one (PubChem CID 11141324) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
PubChem CID11141324
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one
SMILESO=C1CC(CN2CCN(c3ccccn3)CC2)c2ccccc21
InChIInChI=1S/C19H21N3O/c23-18-13-15(16-5-1-2-6-17(16)18)14-21-9-11-22(12-10-21)19-7-3-4-8-20-19/h1-8,15H,9-14H2
InChIKeyWFNOTNPRCDADTF-UHFFFAOYSA-N
XLogP2.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one (CID 11141324) is 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one is O=C1CC(CN2CCN(c3ccccn3)CC2)c2ccccc21.
What is the InChIKey of 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
The InChIKey is WFNOTNPRCDADTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-18-13-15(16-5-1-2-6-17(16)18)14-21-9-11-22(12-10-21)19-7-3-4-8-20-19/h1-8,15H,9-14H2.
What are the key properties of 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one?
3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one has a molecular weight of 307.40 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 11141324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).