4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide

C18H25N3O5 — CID 7602926

IUPAC4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1cc(NC(=O)CCC(=O)N2CCN(C(C)=O)CC2)cc(OC)c1
InChIInChI=1S/C18H25N3O5/c1-13(22)20-6-8-21(9-7-20)18(24)5-4-17(23)19-14-10-15(25-2)12-16(11-14)26-3/h10-12H,4-9H2,1-3H3,(H,19,23)
InChIKeyBYNOJXOYSULCRE-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.11
Rot. Bonds6

About 4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide

4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide (PubChem CID 7602926) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide
PubChem CID7602926
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide
SMILESCOc1cc(NC(=O)CCC(=O)N2CCN(C(C)=O)CC2)cc(OC)c1
InChIInChI=1S/C18H25N3O5/c1-13(22)20-6-8-21(9-7-20)18(24)5-4-17(23)19-14-10-15(25-2)12-16(11-14)26-3/h10-12H,4-9H2,1-3H3,(H,19,23)
InChIKeyBYNOJXOYSULCRE-UHFFFAOYSA-N
XLogP1.11
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide
CID 108944957
4-(4-acetylpiperazin-1-yl)-4-oxo-N-[4-(trifluoromethoxy)phenyl]butanamide
CID 8777313
4-(4-acetylpiperazin-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-4-oxobutanamide
CID 9162779
N-(3,5-dimethoxyphenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide;hydrochloride
CID 120982133
methyl 4-[(3R)-3-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidin-1-yl]-4-oxobutanoate
CID 25476827
N-(3,5-dimethoxyphenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)cyclopentyl]acetamide
CID 17496413
4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
CID 9032040
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
CID 2971820
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
4-(4-acetylpiperazin-1-yl)-N-(2-ethylphenyl)-4-oxobutanamide
CID 7603287
4-(4-acetylpiperazin-1-yl)-4-oxobutanehydrazide
CID 4739853

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide (CID 7602926) is 4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide is COc1cc(NC(=O)CCC(=O)N2CCN(C(C)=O)CC2)cc(OC)c1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide?
The InChIKey is BYNOJXOYSULCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-13(22)20-6-8-21(9-7-20)18(24)5-4-17(23)19-14-10-15(25-2)12-16(11-14)26-3/h10-12H,4-9H2,1-3H3,(H,19,23).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide?
4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide has a molecular weight of 363.41 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N-(3,5-dimethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 7602926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).