4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one

C17H18N2O3 — CID 2541322

IUPAC4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CCN1
InChIInChI=1S/C17H18N2O3/c20-16-10-19(5-4-18-16)9-13-8-17(21)22-15-7-12-3-1-2-11(12)6-14(13)15/h6-8H,1-5,9-10H2,(H,18,20)
InChIKeyGVNOSYYZDLGDHX-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.21
Rot. Bonds2

About 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one

4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one (PubChem CID 2541322) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one
PubChem CID2541322
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CCN1
InChIInChI=1S/C17H18N2O3/c20-16-10-19(5-4-18-16)9-13-8-17(21)22-15-7-12-3-1-2-11(12)6-14(13)15/h6-8H,1-5,9-10H2,(H,18,20)
InChIKeyGVNOSYYZDLGDHX-UHFFFAOYSA-N
XLogP1.21
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(7,8-Dimethyl-2-oxochromen-4-yl)methyl]piperidine-4-carboxamide
CID 2603986
4-((4-ethylpiperazin-1-yl)methyl)-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
CID 666298
4-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
CID 666715
6,7-dimethyl-4-(piperidin-1-ylmethyl)-2H-chromen-2-one
CID 941032
4-((dipropylamino)methyl)-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
CID 942403
6,7-Dimethyl-4-[(4-methylpiperidin-1-yl)methyl]chromen-2-one
CID 1944130
6,7-Dimethyl-4-[(2-methylpiperidin-1-yl)methyl]chromen-2-one
CID 5149428
Ethyl 4-((2-oxo-2,6,7,8-tetrahydrocyclopenta[g]chromen-4-yl)methyl)piperazine-1-carboxylate
CID 664181
4-((4-methylpiperazin-1-yl)methyl)-7,8-dihydrocyclopenta[g]chromen-2(6H)-one
CID 666280
5,7-dimethyl-4-((4-methylpiperazin-1-yl)methyl)-2H-chromen-2-one
CID 667121
4-[(4-Ethyl-1-piperazinyl)methyl]-5,7-dimethyl-1-benzopyran-2-one
CID 667242
5,7-dimethyl-4-(piperidin-1-ylmethyl)-2H-chromen-2-one
CID 1779618

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one (CID 2541322) is 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one is O=C1CN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CCN1.
What is the InChIKey of 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one?
The InChIKey is GVNOSYYZDLGDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16-10-19(5-4-18-16)9-13-8-17(21)22-15-7-12-3-1-2-11(12)6-14(13)15/h6-8H,1-5,9-10H2,(H,18,20).
What are the key properties of 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one?
4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one has a molecular weight of 298.34 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 2541322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).