3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide

C18H25N3O4 — CID 108961269

IUPAC3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
SMILESCOc1cccc(NC(=O)C(C)(C)C(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C18H25N3O4/c1-13(22)20-8-10-21(11-9-20)17(24)18(2,3)16(23)19-14-6-5-7-15(12-14)25-4/h5-7,12H,8-11H2,1-4H3,(H,19,23)
InChIKeyFTJSLOHDGOIHPX-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.35
Rot. Bonds4

About 3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide

3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide (PubChem CID 108961269) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
PubChem CID108961269
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
SMILESCOc1cccc(NC(=O)C(C)(C)C(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C18H25N3O4/c1-13(22)20-8-10-21(11-9-20)17(24)18(2,3)16(23)19-14-6-5-7-15(12-14)25-4/h5-7,12H,8-11H2,1-4H3,(H,19,23)
InChIKeyFTJSLOHDGOIHPX-UHFFFAOYSA-N
XLogP1.35
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966767
N-(3-fluorophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969376
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113110333
N-(3-acetylphenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958859
3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961240
N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969395
2-hydroxy-N-(3-methoxyphenyl)-2,2-diphenylacetamide
CID 828005
ethyl 4-[2,2-dimethyl-3-(3-methylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108965342
N-(3-acetylphenyl)-3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108960966
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide (CID 108961269) is 3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide is COc1cccc(NC(=O)C(C)(C)C(=O)N2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide?
The InChIKey is FTJSLOHDGOIHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-13(22)20-8-10-21(11-9-20)17(24)18(2,3)16(23)19-14-6-5-7-15(12-14)25-4/h5-7,12H,8-11H2,1-4H3,(H,19,23).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide?
3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide has a molecular weight of 347.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide is sourced from PubChem (CID 108961269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).