6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one

C21H24N2O3 — CID 170511586

IUPAC6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C21H24N2O3/c1-14-12-18(16-8-5-9-16)26-21(25)19(14)20(24)23-11-10-22-17(13-23)15-6-3-2-4-7-15/h2-4,6-7,12,16-17,22H,5,8-11,13H2,1H3
InChIKeyKUPZOTKNLOVYPE-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.00
Rot. Bonds3

About 6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one

6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one (PubChem CID 170511586) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one.

Molecular Properties

Compound Name6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one
PubChem CID170511586
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one
SMILESCc1cc(C2CCC2)oc(=O)c1C(=O)N1CCNC(c2ccccc2)C1
InChIInChI=1S/C21H24N2O3/c1-14-12-18(16-8-5-9-16)26-21(25)19(14)20(24)23-11-10-22-17(13-23)15-6-3-2-4-7-15/h2-4,6-7,12,16-17,22H,5,8-11,13H2,1H3
InChIKeyKUPZOTKNLOVYPE-UHFFFAOYSA-N
XLogP3.00
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one?
The IUPAC name of 6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one (CID 170511586) is 6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one.
What is the SMILES notation for 6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one?
The canonical SMILES for 6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one is Cc1cc(C2CCC2)oc(=O)c1C(=O)N1CCNC(c2ccccc2)C1.
What is the InChIKey of 6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one?
The InChIKey is KUPZOTKNLOVYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-12-18(16-8-5-9-16)26-21(25)19(14)20(24)23-11-10-22-17(13-23)15-6-3-2-4-7-15/h2-4,6-7,12,16-17,22H,5,8-11,13H2,1H3.
What are the key properties of 6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one?
6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one has a molecular weight of 352.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-methyl-3-(3-phenylpiperazine-1-carbonyl)pyran-2-one is sourced from PubChem (CID 170511586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).