4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide

C18H25N3O3 — CID 109046463

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-4-19(5-2)17(23)15-6-8-16(9-7-15)18(24)21-12-10-20(11-13-21)14(3)22/h6-9H,4-5,10-13H2,1-3H3
InChIKeyMUFCXPPLFLXSFG-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.47
Rot. Bonds4

About 4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide

4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide (PubChem CID 109046463) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide
PubChem CID109046463
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-4-19(5-2)17(23)15-6-8-16(9-7-15)18(24)21-12-10-20(11-13-21)14(3)22/h6-9H,4-5,10-13H2,1-3H3
InChIKeyMUFCXPPLFLXSFG-UHFFFAOYSA-N
XLogP1.47
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide 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-[(4-acetylpiperazin-1-yl)-phenylmethyl]-N,N-diethylbenzamide
CID 10691980
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
1-[4-(4-bromobenzoyl)piperazin-1-yl]ethanone
CID 23145474
4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
CID 119380611
4-(4-formylpiperazine-1-carbonyl)-N,N-dipropylbenzamide
CID 109046369
N,N-diethyl-4-[[2-oxo-2-[4-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54834336
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
N,N-diethyl-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053776
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide
CID 119595760
N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084314
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
5-(azepane-1-carbonyl)-N,N-diethylpyridine-3-carboxamide
CID 109106739

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide (CID 109046463) is 4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide?
The InChIKey is MUFCXPPLFLXSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-19(5-2)17(23)15-6-8-16(9-7-15)18(24)21-12-10-20(11-13-21)14(3)22/h6-9H,4-5,10-13H2,1-3H3.
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide?
4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide has a molecular weight of 331.42 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N,N-diethylbenzamide is sourced from PubChem (CID 109046463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).