4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one

C23H24N2O3 — CID 9223197

IUPAC4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one
SMILESCc1cc2oc(=O)cc(CN3CCN(C(=O)c4ccccc4)CC3)c2cc1C
InChIInChI=1S/C23H24N2O3/c1-16-12-20-19(14-22(26)28-21(20)13-17(16)2)15-24-8-10-25(11-9-24)23(27)18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3
InChIKeyKZXLAODDGAFKHB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.37
Rot. Bonds3

About 4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one

4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one (PubChem CID 9223197) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one.

Molecular Properties

Compound Name4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one
PubChem CID9223197
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one
SMILESCc1cc2oc(=O)cc(CN3CCN(C(=O)c4ccccc4)CC3)c2cc1C
InChIInChI=1S/C23H24N2O3/c1-16-12-20-19(14-22(26)28-21(20)13-17(16)2)15-24-8-10-25(11-9-24)23(27)18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3
InChIKeyKZXLAODDGAFKHB-UHFFFAOYSA-N
XLogP3.37
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethyl-4-[[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]methyl]chromen-2-one
CID 35209077
4-[(4-acetylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one
CID 2101263
4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 32578944
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
6,7-dimethyl-4-[(3-phenylpyrrolidin-1-yl)methyl]chromen-2-one
CID 71881985
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
2-[4-[(6,7-dimethyl-2-oxochromen-4-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
CID 86913191
ethyl 4-[(6-hydroxy-2-oxo-7-phenylchromen-4-yl)methyl]piperazine-1-carboxylate
CID 5152920
4-[[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-6,7-dimethylchromen-2-one
CID 27184655
7-methyl-4-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]chromen-2-one
CID 17399460
6,7-dimethyl-4-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]chromen-2-one;formic acid
CID 172896482
3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057

Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one?
The IUPAC name of 4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one (CID 9223197) is 4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one.
What is the SMILES notation for 4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one?
The canonical SMILES for 4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one is Cc1cc2oc(=O)cc(CN3CCN(C(=O)c4ccccc4)CC3)c2cc1C.
What is the InChIKey of 4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one?
The InChIKey is KZXLAODDGAFKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16-12-20-19(14-22(26)28-21(20)13-17(16)2)15-24-8-10-25(11-9-24)23(27)18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3.
What are the key properties of 4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one?
4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzoylpiperazin-1-yl)methyl]-6,7-dimethylchromen-2-one is sourced from PubChem (CID 9223197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).