4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one

C18H24N2O3 — CID 110644909

IUPAC4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc(C2C(=O)NCCN2C(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3/c1-23-15-9-7-13(8-10-15)16-17(21)19-11-12-20(16)18(22)14-5-3-2-4-6-14/h7-10,14,16H,2-6,11-12H2,1H3,(H,19,21)
InChIKeyWTHIZQAMCYWJQM-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.28
Rot. Bonds3

About 4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one

4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one (PubChem CID 110644909) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one
PubChem CID110644909
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc(C2C(=O)NCCN2C(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O3/c1-23-15-9-7-13(8-10-15)16-17(21)19-11-12-20(16)18(22)14-5-3-2-4-6-14/h7-10,14,16H,2-6,11-12H2,1H3,(H,19,21)
InChIKeyWTHIZQAMCYWJQM-UHFFFAOYSA-N
XLogP2.28
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one (CID 110644909) is 4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one is COc1ccc(C2C(=O)NCCN2C(=O)C2CCCCC2)cc1.
What is the InChIKey of 4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one?
The InChIKey is WTHIZQAMCYWJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-15-9-7-13(8-10-15)16-17(21)19-11-12-20(16)18(22)14-5-3-2-4-6-14/h7-10,14,16H,2-6,11-12H2,1H3,(H,19,21).
What are the key properties of 4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one?
4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 110644909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).