1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one

C23H24N4O3 — CID 42248005

IUPAC1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one
SMILESCOc1ccc(N2C(=O)CN(C(=O)c3cccc(-n4cccn4)c3)CC2(C)C)cc1
InChIInChI=1S/C23H24N4O3/c1-23(2)16-25(15-21(28)27(23)18-8-10-20(30-3)11-9-18)22(29)17-6-4-7-19(14-17)26-13-5-12-24-26/h4-14H,15-16H2,1-3H3
InChIKeyVDASECWFLPXICX-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.15
Rot. Bonds4

About 1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one

1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one (PubChem CID 42248005) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one
PubChem CID42248005
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one
SMILESCOc1ccc(N2C(=O)CN(C(=O)c3cccc(-n4cccn4)c3)CC2(C)C)cc1
InChIInChI=1S/C23H24N4O3/c1-23(2)16-25(15-21(28)27(23)18-8-10-20(30-3)11-9-18)22(29)17-6-4-7-19(14-17)26-13-5-12-24-26/h4-14H,15-16H2,1-3H3
InChIKeyVDASECWFLPXICX-UHFFFAOYSA-N
XLogP3.15
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one?
The IUPAC name of 1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one (CID 42248005) is 1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one?
The canonical SMILES for 1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one is COc1ccc(N2C(=O)CN(C(=O)c3cccc(-n4cccn4)c3)CC2(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one?
The InChIKey is VDASECWFLPXICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-23(2)16-25(15-21(28)27(23)18-8-10-20(30-3)11-9-18)22(29)17-6-4-7-19(14-17)26-13-5-12-24-26/h4-14H,15-16H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one?
1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one has a molecular weight of 404.47 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6,6-dimethyl-4-(3-pyrazol-1-ylbenzoyl)piperazin-2-one is sourced from PubChem (CID 42248005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).