3-(2-methylpiperazine-1-carbonyl)chromen-2-one

C15H16N2O3 — CID 62672423

IUPAC3-(2-methylpiperazine-1-carbonyl)chromen-2-one
SMILESCC1CNCCN1C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H16N2O3/c1-10-9-16-6-7-17(10)14(18)12-8-11-4-2-3-5-13(11)20-15(12)19/h2-5,8,10,16H,6-7,9H2,1H3
InChIKeySBZWJHWOERFZKT-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.23
Rot. Bonds1

About 3-(2-methylpiperazine-1-carbonyl)chromen-2-one

3-(2-methylpiperazine-1-carbonyl)chromen-2-one (PubChem CID 62672423) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(2-methylpiperazine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(2-methylpiperazine-1-carbonyl)chromen-2-one
PubChem CID62672423
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-(2-methylpiperazine-1-carbonyl)chromen-2-one
SMILESCC1CNCCN1C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H16N2O3/c1-10-9-16-6-7-17(10)14(18)12-8-11-4-2-3-5-13(11)20-15(12)19/h2-5,8,10,16H,6-7,9H2,1H3
InChIKeySBZWJHWOERFZKT-UHFFFAOYSA-N
XLogP1.23
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.23
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

3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one
CID 110741146
2-(1-benzofuran-2-yl)-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471792
1-benzofuran-3-yl-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705753
3-[4-(aminomethyl)-2-methylpyrrolidine-1-carbonyl]chromen-2-one
CID 115491991
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
4-[(2R)-2-methylpiperazine-1-carbonyl]-1H-quinolin-2-one
CID 82704916
N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 66185459
(2-chloro-5-phenylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119472210
3-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)chromen-2-one
CID 24685630

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpiperazine-1-carbonyl)chromen-2-one?
The IUPAC name of 3-(2-methylpiperazine-1-carbonyl)chromen-2-one (CID 62672423) is 3-(2-methylpiperazine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(2-methylpiperazine-1-carbonyl)chromen-2-one?
The canonical SMILES for 3-(2-methylpiperazine-1-carbonyl)chromen-2-one is CC1CNCCN1C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-(2-methylpiperazine-1-carbonyl)chromen-2-one?
The InChIKey is SBZWJHWOERFZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-9-16-6-7-17(10)14(18)12-8-11-4-2-3-5-13(11)20-15(12)19/h2-5,8,10,16H,6-7,9H2,1H3.
What are the key properties of 3-(2-methylpiperazine-1-carbonyl)chromen-2-one?
3-(2-methylpiperazine-1-carbonyl)chromen-2-one has a molecular weight of 272.30 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpiperazine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 62672423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).