N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide

C17H24N4O3 — CID 113175895

IUPACN-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)N2CCN(C)CC2)C(C)=O)cc1
InChIInChI=1S/C17H24N4O3/c1-13(22)18-15-4-6-16(7-5-15)21(14(2)23)12-17(24)20-10-8-19(3)9-11-20/h4-7H,8-12H2,1-3H3,(H,18,22)
InChIKeyABOGXTIFDJQROV-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.77
Rot. Bonds4

About N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide

N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide (PubChem CID 113175895) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
PubChem CID113175895
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N(CC(=O)N2CCN(C)CC2)C(C)=O)cc1
InChIInChI=1S/C17H24N4O3/c1-13(22)18-15-4-6-16(7-5-15)21(14(2)23)12-17(24)20-10-8-19(3)9-11-20/h4-7H,8-12H2,1-3H3,(H,18,22)
InChIKeyABOGXTIFDJQROV-UHFFFAOYSA-N
XLogP0.77
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide 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

N-[4-[acetyl-(2-oxo-2-piperidin-1-ylethyl)amino]phenyl]acetamide
CID 46945104
N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175886
N-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113171492
methyl 4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]benzoate
CID 113176365
N-[4-[acetyl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175931
N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113174831
N-(4-bromo-3-methylphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113178154
N-(4-acetylphenyl)-N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113175567
N-[4-[[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-methylsulfonylamino]phenyl]acetamide
CID 113145517
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944450
N-(4-acetylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113175551
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113176972

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide (CID 113175895) is N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N(CC(=O)N2CCN(C)CC2)C(C)=O)cc1.
What is the InChIKey of N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide?
The InChIKey is ABOGXTIFDJQROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13(22)18-15-4-6-16(7-5-15)21(14(2)23)12-17(24)20-10-8-19(3)9-11-20/h4-7H,8-12H2,1-3H3,(H,18,22).
What are the key properties of N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide?
N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]phenyl]acetamide is sourced from PubChem (CID 113175895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).