1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one

C17H24N2O3 — CID 110867147

IUPAC1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one
SMILESCOc1ccc(CC(=O)N2CCN(C(C)(C)C)C(=O)C2)cc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)19-10-9-18(12-16(19)21)15(20)11-13-5-7-14(22-4)8-6-13/h5-8H,9-12H2,1-4H3
InChIKeyZHZZAFXDKPTESR-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.71
Rot. Bonds3

About 1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one

1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one (PubChem CID 110867147) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one
PubChem CID110867147
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one
SMILESCOc1ccc(CC(=O)N2CCN(C(C)(C)C)C(=O)C2)cc1
InChIInChI=1S/C17H24N2O3/c1-17(2,3)19-10-9-18(12-16(19)21)15(20)11-13-5-7-14(22-4)8-6-13/h5-8H,9-12H2,1-4H3
InChIKeyZHZZAFXDKPTESR-UHFFFAOYSA-N
XLogP1.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-4-[2-(4-chlorophenyl)acetyl]piperazin-2-one
CID 110873659
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
4-[2-(4-methoxyphenyl)acetyl]-1-phenyl-1,4-diazepan-2-one
CID 110867159
1-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867817
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 48867812
3-methoxy-1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 108534028
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110365515
2-(4-methoxyphenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721524
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[4-(2-bromoethyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 80660719
N,N-diethyl-4-[2-(4-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110365832

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one?
The IUPAC name of 1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one (CID 110867147) is 1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one.
What is the SMILES notation for 1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one?
The canonical SMILES for 1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one is COc1ccc(CC(=O)N2CCN(C(C)(C)C)C(=O)C2)cc1.
What is the InChIKey of 1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one?
The InChIKey is ZHZZAFXDKPTESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-17(2,3)19-10-9-18(12-16(19)21)15(20)11-13-5-7-14(22-4)8-6-13/h5-8H,9-12H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one?
1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(4-methoxyphenyl)acetyl]piperazin-2-one is sourced from PubChem (CID 110867147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).