2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one

C17H24N2O2 — CID 82020777

IUPAC2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one
SMILESCc1ccc2c(c1)OC(C)(CCN1CCNCC1)CC2=O
InChIInChI=1S/C17H24N2O2/c1-13-3-4-14-15(20)12-17(2,21-16(14)11-13)5-8-19-9-6-18-7-10-19/h3-4,11,18H,5-10,12H2,1-2H3
InChIKeyZYKKANFMWNWMJJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.01
Rot. Bonds3

About 2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one

2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one (PubChem CID 82020777) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one.

Molecular Properties

Compound Name2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one
PubChem CID82020777
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one
SMILESCc1ccc2c(c1)OC(C)(CCN1CCNCC1)CC2=O
InChIInChI=1S/C17H24N2O2/c1-13-3-4-14-15(20)12-17(2,21-16(14)11-13)5-8-19-9-6-18-7-10-19/h3-4,11,18H,5-10,12H2,1-2H3
InChIKeyZYKKANFMWNWMJJ-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one;dihydrochloride
CID 82020778
3-(7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)propanoic acid
CID 82046742
2-(cyclobutylmethyl)-2,6-dimethyl-3H-chromen-4-one
CID 114673541
1-[(2-ethyl-5-methylphenyl)methyl]piperazine
CID 117311481
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446180
4-methyl-2-[[methyl(2-piperazin-1-ylethyl)amino]methyl]phenol
CID 63325401
6-hydroxy-2-(3-hydroxybutyl)-2-methyl-3H-chromen-4-one
CID 155550976
1-[2-(2,4-dimethylphenyl)sulfinylethyl]piperazine
CID 112741724
2,2,6-trimethyl-1-benzofuran-3-one
CID 14470623
3-(7-ethoxy-2-methyl-4-oxo-3H-chromen-2-yl)propanoic acid
CID 82019272
1'-benzylsulfonyl-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759022
6-methoxy-2-methyl-2-propyl-3H-chromen-4-one
CID 114673953

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one?
The IUPAC name of 2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one (CID 82020777) is 2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one.
What is the SMILES notation for 2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one?
The canonical SMILES for 2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one is Cc1ccc2c(c1)OC(C)(CCN1CCNCC1)CC2=O.
What is the InChIKey of 2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one?
The InChIKey is ZYKKANFMWNWMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-3-4-14-15(20)12-17(2,21-16(14)11-13)5-8-19-9-6-18-7-10-19/h3-4,11,18H,5-10,12H2,1-2H3.
What are the key properties of 2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one?
2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one has a molecular weight of 288.39 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-2-(2-piperazin-1-ylethyl)-3H-chromen-4-one is sourced from PubChem (CID 82020777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).