4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide

C17H24N4O3 — CID 71846805

IUPAC4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2cccc(N(C)C(C)=O)c2)C(C)C1
InChIInChI=1S/C17H24N4O3/c1-12-11-20(14(3)23)8-9-21(12)17(24)18-15-6-5-7-16(10-15)19(4)13(2)22/h5-7,10,12H,8-9,11H2,1-4H3,(H,18,24)
InChIKeyIXAAHZHUFWHFPP-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.75
Rot. Bonds2

About 4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide

4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide (PubChem CID 71846805) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide
PubChem CID71846805
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)Nc2cccc(N(C)C(C)=O)c2)C(C)C1
InChIInChI=1S/C17H24N4O3/c1-12-11-20(14(3)23)8-9-21(12)17(24)18-15-6-5-7-16(10-15)19(4)13(2)22/h5-7,10,12H,8-9,11H2,1-4H3,(H,18,24)
InChIKeyIXAAHZHUFWHFPP-UHFFFAOYSA-N
XLogP1.75
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide 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

4-acetyl-2-methyl-N-[3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 71846830
N-[3-[acetyl(methyl)amino]phenyl]-4-cyclopentylpiperazine-1-carboxamide
CID 71984770
(2S)-N-[3-[acetyl(methyl)amino]phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 99582464
N-[3-[acetyl(methyl)amino]phenyl]-4-[(2R)-oxolan-2-yl]piperidine-1-carboxamide
CID 124622105
2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108508411
4-acetyl-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide
CID 136532879
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
CID 4052686
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
N-[3-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 69092727
3-[[(3R)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]amino]benzoic acid
CID 165430419
3-[[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]amino]benzoic acid
CID 165430418
methyl N-[3-[(4-ethyl-2-methylpiperazine-1-carbonyl)amino]phenyl]carbamate
CID 136571796

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide (CID 71846805) is 4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide is CC(=O)N1CCN(C(=O)Nc2cccc(N(C)C(C)=O)c2)C(C)C1.
What is the InChIKey of 4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide?
The InChIKey is IXAAHZHUFWHFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12-11-20(14(3)23)8-9-21(12)17(24)18-15-6-5-7-16(10-15)19(4)13(2)22/h5-7,10,12H,8-9,11H2,1-4H3,(H,18,24).
What are the key properties of 4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide?
4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[3-[acetyl(methyl)amino]phenyl]-2-methylpiperazine-1-carboxamide is sourced from PubChem (CID 71846805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).