5-(3-methylpiperazine-1-carbonyl)pyran-2-one

C11H14N2O3 — CID 65447478

IUPAC5-(3-methylpiperazine-1-carbonyl)pyran-2-one
SMILESCC1CN(C(=O)c2ccc(=O)oc2)CCN1
InChIInChI=1S/C11H14N2O3/c1-8-6-13(5-4-12-8)11(15)9-2-3-10(14)16-7-9/h2-3,7-8,12H,4-6H2,1H3
InChIKeyQJMJEAWDGHXZOZ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.07
Rot. Bonds1

About 5-(3-methylpiperazine-1-carbonyl)pyran-2-one

5-(3-methylpiperazine-1-carbonyl)pyran-2-one (PubChem CID 65447478) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 5-(3-methylpiperazine-1-carbonyl)pyran-2-one.

Molecular Properties

Compound Name5-(3-methylpiperazine-1-carbonyl)pyran-2-one
PubChem CID65447478
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name5-(3-methylpiperazine-1-carbonyl)pyran-2-one
SMILESCC1CN(C(=O)c2ccc(=O)oc2)CCN1
InChIInChI=1S/C11H14N2O3/c1-8-6-13(5-4-12-8)11(15)9-2-3-10(14)16-7-9/h2-3,7-8,12H,4-6H2,1H3
InChIKeyQJMJEAWDGHXZOZ-UHFFFAOYSA-N
XLogP0.07
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(3-methylpiperazine-1-carbonyl)phenyl]ethanone;hydrochloride
CID 119576231
5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one
CID 94339974
(4-ethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426419
(4-methoxyphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427852
(4-chloro-3-methylphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 113397126
N-[4-(3-methylpiperazine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119576157
1,3-dihydro-2-benzofuran-5-yl-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119579585
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
[(3S)-3-methylpiperazin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124693440
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
(4-fluoro-3-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65417667
(3,4-dimethoxyphenyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 81428147

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperazine-1-carbonyl)pyran-2-one?
The IUPAC name of 5-(3-methylpiperazine-1-carbonyl)pyran-2-one (CID 65447478) is 5-(3-methylpiperazine-1-carbonyl)pyran-2-one.
What is the SMILES notation for 5-(3-methylpiperazine-1-carbonyl)pyran-2-one?
The canonical SMILES for 5-(3-methylpiperazine-1-carbonyl)pyran-2-one is CC1CN(C(=O)c2ccc(=O)oc2)CCN1.
What is the InChIKey of 5-(3-methylpiperazine-1-carbonyl)pyran-2-one?
The InChIKey is QJMJEAWDGHXZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8-6-13(5-4-12-8)11(15)9-2-3-10(14)16-7-9/h2-3,7-8,12H,4-6H2,1H3.
What are the key properties of 5-(3-methylpiperazine-1-carbonyl)pyran-2-one?
5-(3-methylpiperazine-1-carbonyl)pyran-2-one has a molecular weight of 222.24 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperazine-1-carbonyl)pyran-2-one is sourced from PubChem (CID 65447478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).