3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide

C19H27N3O3 — CID 108961240

IUPAC3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide
SMILESCC(=O)N1CCN(C(=O)C(C)(C)C(=O)Nc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C19H27N3O3/c1-13-10-14(2)12-16(11-13)20-17(24)19(4,5)18(25)22-8-6-21(7-9-22)15(3)23/h10-12H,6-9H2,1-5H3,(H,20,24)
InChIKeySAAXZGFASKYCMO-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.96
Rot. Bonds3

About 3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide

3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide (PubChem CID 108961240) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide
PubChem CID108961240
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide
SMILESCC(=O)N1CCN(C(=O)C(C)(C)C(=O)Nc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C19H27N3O3/c1-13-10-14(2)12-16(11-13)20-17(24)19(4,5)18(25)22-8-6-21(7-9-22)15(3)23/h10-12H,6-9H2,1-5H3,(H,20,24)
InChIKeySAAXZGFASKYCMO-UHFFFAOYSA-N
XLogP1.96
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(3-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961269
3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108960915
ethyl 4-[2,2-dimethyl-3-(3-methylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108965342
3-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961265
2,2-dimethyl-N-(3-methylphenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108959884
1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone
CID 108996155
N-(3,5-dichlorophenyl)-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
CID 108958898
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
3-(azepan-1-yl)-N-(3-bromo-4-methylphenyl)-2,2-dimethyl-3-oxopropanamide
CID 108967044
3-(4-acetylpiperazin-1-yl)-N-(2,4-difluorophenyl)-2,2-dimethyl-3-oxopropanamide
CID 108961299
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-(3,4,5-trimethoxyphenyl)propanamide
CID 108960828
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108965460

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide (CID 108961240) is 3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide is CC(=O)N1CCN(C(=O)C(C)(C)C(=O)Nc2cc(C)cc(C)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide?
The InChIKey is SAAXZGFASKYCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-10-14(2)12-16(11-13)20-17(24)19(4,5)18(25)22-8-6-21(7-9-22)15(3)23/h10-12H,6-9H2,1-5H3,(H,20,24).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide?
3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide has a molecular weight of 345.44 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazin-1-yl)-N-(3,5-dimethylphenyl)-2,2-dimethyl-3-oxopropanamide is sourced from PubChem (CID 108961240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).