4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide

C19H30N4O2 — CID 37191936

IUPAC4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C19H30N4O2/c1-5-22(6-2)19(25)23-12-10-21(11-13-23)14-18(24)20-17-9-7-8-15(3)16(17)4/h7-9H,5-6,10-14H2,1-4H3,(H,20,24)
InChIKeyYAMCZUOBXJYDCF-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.32
Rot. Bonds5

About 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide

4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide (PubChem CID 37191936) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
PubChem CID37191936
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1
InChIInChI=1S/C19H30N4O2/c1-5-22(6-2)19(25)23-12-10-21(11-13-23)14-18(24)20-17-9-7-8-15(3)16(17)4/h7-9H,5-6,10-14H2,1-4H3,(H,20,24)
InChIKeyYAMCZUOBXJYDCF-UHFFFAOYSA-N
XLogP2.32
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-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

N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(2-ethylbutanoyl)piperazin-1-yl]acetamide
CID 34983496
4-[2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37194189
N-(2,3-dimethylphenyl)-2-(4-pentanoylpiperazin-1-yl)acetamide
CID 27859808
N-(2,3-dimethylphenyl)-2-[4-(methylcarbamothioyl)piperazin-1-yl]acetamide
CID 9215169
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
ethyl 4-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8931960
(2S)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 8694603
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide;dihydrochloride
CID 119833583
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836
N-(2,3-dimethylphenyl)-2-[4-(2-phenoxypropanoyl)piperazin-1-yl]acetamide
CID 18116033

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide (CID 37191936) is 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1.
What is the InChIKey of 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is YAMCZUOBXJYDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-5-22(6-2)19(25)23-12-10-21(11-13-23)14-18(24)20-17-9-7-8-15(3)16(17)4/h7-9H,5-6,10-14H2,1-4H3,(H,20,24).
What are the key properties of 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide?
4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dimethylanilino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 37191936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).