2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide

C22H25N3O4 — CID 46643290

IUPAC2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H25N3O4/c1-23(2)20(26)16-29-19-11-7-6-10-18(19)22(28)25-14-12-24(13-15-25)21(27)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
InChIKeyMNCQVYCBZPFFGA-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.75
Rot. Bonds5

About 2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide

2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide (PubChem CID 46643290) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide
PubChem CID46643290
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide
SMILESCN(C)C(=O)COc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H25N3O4/c1-23(2)20(26)16-29-19-11-7-6-10-18(19)22(28)25-14-12-24(13-15-25)21(27)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
InChIKeyMNCQVYCBZPFFGA-UHFFFAOYSA-N
XLogP1.75
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide 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,N-dimethyl-2-[2-(4-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 39580956
N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 46417857
1-[2-[2-(dimethylamino)-2-oxoethoxy]benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257347
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
[4-(2-pentoxybenzoyl)piperazin-1-yl]-(2-pentoxyphenyl)methanone
CID 4947734
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
1-(4-benzoylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)ethanone
CID 18112391
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
[4-(2-butoxybenzoyl)-1,4-diazepan-1-yl]-(2-butoxyphenyl)methanone
CID 4981271

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide (CID 46643290) is 2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide is CN(C)C(=O)COc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide?
The InChIKey is MNCQVYCBZPFFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-23(2)20(26)16-29-19-11-7-6-10-18(19)22(28)25-14-12-24(13-15-25)21(27)17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3.
What are the key properties of 2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide?
2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide has a molecular weight of 395.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzoylpiperazine-1-carbonyl)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 46643290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).