5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one

C18H19N3O — CID 159120939

IUPAC5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccc(-c3ccc(N4CCNCC4)nc3)cc2C1
InChIInChI=1S/C18H19N3O/c22-17-10-14-2-1-13(9-16(14)11-17)15-3-4-18(20-12-15)21-7-5-19-6-8-21/h1-4,9,12,19H,5-8,10-11H2
InChIKeyKFRMIELGIXISIA-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.83
Rot. Bonds2

About 5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one

5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one (PubChem CID 159120939) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one
PubChem CID159120939
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one
SMILESO=C1Cc2ccc(-c3ccc(N4CCNCC4)nc3)cc2C1
InChIInChI=1S/C18H19N3O/c22-17-10-14-2-1-13(9-16(14)11-17)15-3-4-18(20-12-15)21-7-5-19-6-8-21/h1-4,9,12,19H,5-8,10-11H2
InChIKeyKFRMIELGIXISIA-UHFFFAOYSA-N
XLogP1.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
CID 23133533
5-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 141215033
1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride
CID 23133526
2-(6-piperazin-1-yl-3-pyridinyl)-1,3,4-oxadiazole
CID 168889948
N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide
CID 126510199
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 23133624
1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine
CID 86694860
4-[6-(6-piperazin-1-yl-3-pyridinyl)quinazolin-4-yl]benzamide
CID 25055156
3-(2,3-dihydro-1H-indol-5-yl)-5-(6-piperazin-1-yl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridine
CID 70225347
5-[(2-piperazin-1-ylpyrimidin-4-yl)amino]-1,3-dihydroinden-2-one
CID 148878335
1-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine
CID 163230421
(6-piperazin-1-yl-3-pyridinyl)methanol
CID 23385573

Frequently Asked Questions

What is the IUPAC name of 5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one?
The IUPAC name of 5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one (CID 159120939) is 5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one.
What is the SMILES notation for 5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one?
The canonical SMILES for 5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one is O=C1Cc2ccc(-c3ccc(N4CCNCC4)nc3)cc2C1.
What is the InChIKey of 5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one?
The InChIKey is KFRMIELGIXISIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-17-10-14-2-1-13(9-16(14)11-17)15-3-4-18(20-12-15)21-7-5-19-6-8-21/h1-4,9,12,19H,5-8,10-11H2.
What are the key properties of 5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one?
5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one has a molecular weight of 293.37 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-piperazin-1-yl-3-pyridinyl)-1,3-dihydroinden-2-one is sourced from PubChem (CID 159120939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).