4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one

C22H25N3O3 — CID 172658297

IUPAC4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one
SMILESCc1cc(C)cc(N2CCN(C(=O)c3c(C)ccn(C4CC4)c3=O)CC2=O)c1
InChIInChI=1S/C22H25N3O3/c1-14-10-15(2)12-18(11-14)24-9-8-23(13-19(24)26)21(27)20-16(3)6-7-25(22(20)28)17-4-5-17/h6-7,10-12,17H,4-5,8-9,13H2,1-3H3
InChIKeyDHPIELLSYWYQHK-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.60
Rot. Bonds3

About 4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one

4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one (PubChem CID 172658297) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one
PubChem CID172658297
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one
SMILESCc1cc(C)cc(N2CCN(C(=O)c3c(C)ccn(C4CC4)c3=O)CC2=O)c1
InChIInChI=1S/C22H25N3O3/c1-14-10-15(2)12-18(11-14)24-9-8-23(13-19(24)26)21(27)20-16(3)6-7-25(22(20)28)17-4-5-17/h6-7,10-12,17H,4-5,8-9,13H2,1-3H3
InChIKeyDHPIELLSYWYQHK-UHFFFAOYSA-N
XLogP2.60
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one?
The IUPAC name of 4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one (CID 172658297) is 4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one?
The canonical SMILES for 4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one is Cc1cc(C)cc(N2CCN(C(=O)c3c(C)ccn(C4CC4)c3=O)CC2=O)c1.
What is the InChIKey of 4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one?
The InChIKey is DHPIELLSYWYQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-10-15(2)12-18(11-14)24-9-8-23(13-19(24)26)21(27)20-16(3)6-7-25(22(20)28)17-4-5-17/h6-7,10-12,17H,4-5,8-9,13H2,1-3H3.
What are the key properties of 4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one?
4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one has a molecular weight of 379.46 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-4-methyl-2-oxopyridine-3-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one is sourced from PubChem (CID 172658297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).