2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide

C15H22N4O2 — CID 60937139

IUPAC2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H22N4O2/c1-17(2)14(20)11-18-7-9-19(10-8-18)15(21)12-3-5-13(16)6-4-12/h3-6H,7-11,16H2,1-2H3
InChIKeyBYCVCVANXKFZPP-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.11
Rot. Bonds3

About 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide

2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 60937139) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID60937139
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C15H22N4O2/c1-17(2)14(20)11-18-7-9-19(10-8-18)15(21)12-3-5-13(16)6-4-12/h3-6H,7-11,16H2,1-2H3
InChIKeyBYCVCVANXKFZPP-UHFFFAOYSA-N
XLogP0.11
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 9021763
ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 166436255
2-[4-(5-aminopyridine-2-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 81311913
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
N,N-dimethyl-2-[4-(4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 55641955
tert-butyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 152732549
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N-ethylacetamide;dihydrochloride
CID 119843977
N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 35231408
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
(4-aminophenyl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 54905926
2-[4-(2-amino-1,3-thiazole-4-carbonyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 62789109

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide (CID 60937139) is 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(C(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is BYCVCVANXKFZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-17(2)14(20)11-18-7-9-19(10-8-18)15(21)12-3-5-13(16)6-4-12/h3-6H,7-11,16H2,1-2H3.
What are the key properties of 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 290.37 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 60937139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).