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

C19H19N3O2 — CID 1240305

IUPAC3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one
SMILESO=c1c(CN2CCN(c3ccccn3)CC2)coc2ccccc12
InChIInChI=1S/C19H19N3O2/c23-19-15(14-24-17-6-2-1-5-16(17)19)13-21-9-11-22(12-10-21)18-7-3-4-8-20-18/h1-8,14H,9-13H2
InChIKeyIRXJOCOHIMMLEX-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.51
Rot. Bonds3

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

3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one (PubChem CID 1240305) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one.

Molecular Properties

Compound Name3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one
PubChem CID1240305
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one
SMILESO=c1c(CN2CCN(c3ccccn3)CC2)coc2ccccc12
InChIInChI=1S/C19H19N3O2/c23-19-15(14-24-17-6-2-1-5-16(17)19)13-21-9-11-22(12-10-21)18-7-3-4-8-20-18/h1-8,14H,9-13H2
InChIKeyIRXJOCOHIMMLEX-UHFFFAOYSA-N
XLogP2.51
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pfi-3
CID 78243717
[4-Amino-2-[4-(4-methylpiperazin-1-yl)phenylamino]pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 11975203
3-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 10783358
3-Chloro-4-[4-(4-pyridin-2-yl-piperazin-1-yl)-butyl]-4H-benzo[f][1,4]oxazepin-5-one
CID 15490956
(3-Methoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 790124
PETT deriv. 14
CID 3003671
[4-Amino-2-(1-methylpiperidin-4-ylamino)pyrimidin-5-yl](2-methoxyphenyl)methanone
CID 11975204
3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-7-(4-methoxyphenyl)-4H-chromen-4-one
CID 16043291
(4-Ethoxy-phenyl)-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 891507
(3-Methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 9325257
3-(4-(pyridin-2-yl)piperazine-1-carbonyl)-2H-chromen-2-one
CID 773687
7-(3-(4-(2-Pyridinyl)-1-piperazinyl)propoxy)-4H-1-benzopyran-4-one
CID 147080

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one?
The IUPAC name of 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one (CID 1240305) is 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one.
What is the SMILES notation for 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one?
The canonical SMILES for 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one is O=c1c(CN2CCN(c3ccccn3)CC2)coc2ccccc12.
What is the InChIKey of 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one?
The InChIKey is IRXJOCOHIMMLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19-15(14-24-17-6-2-1-5-16(17)19)13-21-9-11-22(12-10-21)18-7-3-4-8-20-18/h1-8,14H,9-13H2.
What are the key properties of 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one?
3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one has a molecular weight of 321.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]chromen-4-one is sourced from PubChem (CID 1240305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).