3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide

C19H26ClN3O3 — CID 108961228

IUPAC3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
SMILESCC(=O)N1CCN(C(=O)C(C)(C)C(=O)NCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN3O3/c1-14(24)22-9-11-23(12-10-22)18(26)19(2,3)17(25)21-8-7-15-5-4-6-16(20)13-15/h4-6,13H,7-12H2,1-3H3,(H,21,25)
InChIKeyRSRXMSLMZMFFBS-UHFFFAOYSA-N
MW379.89 g/mol
LogP1.72
Rot. Bonds5

About 3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide

3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide (PubChem CID 108961228) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide.

Molecular Properties

Compound Name3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
PubChem CID108961228
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide
SMILESCC(=O)N1CCN(C(=O)C(C)(C)C(=O)NCCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H26ClN3O3/c1-14(24)22-9-11-23(12-10-22)18(26)19(2,3)17(25)21-8-7-15-5-4-6-16(20)13-15/h4-6,13H,7-12H2,1-3H3,(H,21,25)
InChIKeyRSRXMSLMZMFFBS-UHFFFAOYSA-N
XLogP1.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 51.72
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

N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108966723
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
4-tert-butyl-N-[2-(3-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113110302
N-[2-(3-chlorophenyl)ethyl]-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108959695
N-[2-(3-chlorophenyl)ethyl]-N'-[(2-fluorophenyl)methyl]-2,2-dimethylpropanediamide
CID 108962427
N-(5-chloro-2-methylphenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966968
N-[2-(3-chlorophenyl)ethyl]-N',2,2-trimethyl-N'-phenylpropanediamide
CID 108966948
3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119688226
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959838
1-[4-[2-[2-(3-chlorophenyl)ethylamino]pyrimidine-5-carbonyl]piperazin-1-yl]ethanone
CID 109254653
N-benzyl-N'-[2-(3-chlorophenyl)ethyl]-N-ethyl-2,2-dimethylpropanediamide
CID 108963251

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide?
The IUPAC name of 3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide (CID 108961228) is 3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide.
What is the SMILES notation for 3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide?
The canonical SMILES for 3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide is CC(=O)N1CCN(C(=O)C(C)(C)C(=O)NCCc2cccc(Cl)c2)CC1.
What is the InChIKey of 3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide?
The InChIKey is RSRXMSLMZMFFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-14(24)22-9-11-23(12-10-22)18(26)19(2,3)17(25)21-8-7-15-5-4-6-16(20)13-15/h4-6,13H,7-12H2,1-3H3,(H,21,25).
What are the key properties of 3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide?
3-(4-acetylpiperazin-1-yl)-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide has a molecular weight of 379.89 g/mol, XLogP of 1.72, 5 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-[2-(3-chlorophenyl)ethyl]-2,2-dimethyl-3-oxopropanamide is sourced from PubChem (CID 108961228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).