4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one

C15H20N2O3 — CID 110873327

IUPAC4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2C(C)C)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)13-14(18)16-8-9-17(13)15(19)11-4-6-12(20-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3,(H,16,18)
InChIKeyMWATWBJHVXQSIH-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.29
Rot. Bonds3

About 4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one

4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one (PubChem CID 110873327) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
PubChem CID110873327
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one
SMILESCOc1ccc(C(=O)N2CCNC(=O)C2C(C)C)cc1
InChIInChI=1S/C15H20N2O3/c1-10(2)13-14(18)16-8-9-17(13)15(19)11-4-6-12(20-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3,(H,16,18)
InChIKeyMWATWBJHVXQSIH-UHFFFAOYSA-N
XLogP1.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzamide
CID 166199318
methyl 3-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]benzoate
CID 95316463
2-[1-(4-methoxybenzoyl)-3-oxopiperazin-2-yl]acetic acid
CID 62032410
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351
3-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 110873324
4-(3,5-dimethoxybenzoyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644929
(4-methoxyphenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82244652
4-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-5-carbonyl]-3-propan-2-ylpiperazin-2-one
CID 138997530
2-[(2R)-1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 6975965
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 124834746
4-pentanoyl-3-propan-2-ylpiperazin-2-one
CID 110873304

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one (CID 110873327) is 4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one is COc1ccc(C(=O)N2CCNC(=O)C2C(C)C)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one?
The InChIKey is MWATWBJHVXQSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)13-14(18)16-8-9-17(13)15(19)11-4-6-12(20-3)7-5-11/h4-7,10,13H,8-9H2,1-3H3,(H,16,18).
What are the key properties of 4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one?
4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 110873327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).