7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one

C15H16N2O4 — CID 39161891

IUPAC7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one
SMILESCOc1ccc2cc(C(=O)N3CCNCC3)c(=O)oc2c1
InChIInChI=1S/C15H16N2O4/c1-20-11-3-2-10-8-12(15(19)21-13(10)9-11)14(18)17-6-4-16-5-7-17/h2-3,8-9,16H,4-7H2,1H3
InChIKeyHDPUJLYMWJIRRJ-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.85
Rot. Bonds2

About 7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one

7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one (PubChem CID 39161891) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one
PubChem CID39161891
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one
SMILESCOc1ccc2cc(C(=O)N3CCNCC3)c(=O)oc2c1
InChIInChI=1S/C15H16N2O4/c1-20-11-3-2-10-8-12(15(19)21-13(10)9-11)14(18)17-6-4-16-5-7-17/h2-3,8-9,16H,4-7H2,1H3
InChIKeyHDPUJLYMWJIRRJ-UHFFFAOYSA-N
XLogP0.85
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-diphenylphosphoryloxy-3-(piperazine-1-carbonyl)chromen-2-one;2,2,2-trifluoroacetic acid
CID 175379039
(2,5-dimethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119401629
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-7-methoxychromen-2-one
CID 5262372
7-methoxy-3-prop-1-en-2-ylchromen-2-one
CID 24787160
6-methoxy-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]chromen-2-one
CID 6456871
ethyl 3-(7-methoxy-2-oxochromen-3-yl)-3-oxopropanoate
CID 91733252
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]chromen-2-one
CID 90591754
7-hydroxy-3-(piperidine-1-carbonyl)chromen-2-one
CID 122206892
methyl 4-(2-oxochromene-3-carbonyl)piperazine-1-carboxylate
CID 110803234
2-hydroxyethyl 7-methoxy-2-oxochromene-3-carboxylate
CID 11651849
3-[4-(cyclobutanecarbonyl)-1,4-diazepane-1-carbonyl]-7-propan-2-yloxychromen-2-one
CID 171907749
N-cycloheptyl-7-methoxy-2-oxochromene-3-carboxamide
CID 100795138

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one?
The IUPAC name of 7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one (CID 39161891) is 7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one?
The canonical SMILES for 7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one is COc1ccc2cc(C(=O)N3CCNCC3)c(=O)oc2c1.
What is the InChIKey of 7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one?
The InChIKey is HDPUJLYMWJIRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-11-3-2-10-8-12(15(19)21-13(10)9-11)14(18)17-6-4-16-5-7-17/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one?
7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one has a molecular weight of 288.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 39161891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).