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

C16H20N4O2 — CID 9021763

IUPAC2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H20N4O2/c1-18(2)15(21)12-19-7-9-20(10-8-19)16(22)14-5-3-13(11-17)4-6-14/h3-6H,7-10,12H2,1-2H3
InChIKeyAYRXIEMVAABWFD-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.40
Rot. Bonds3

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

2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide (PubChem CID 9021763) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
PubChem CID9021763
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCN(C(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C16H20N4O2/c1-18(2)15(21)12-19-7-9-20(10-8-19)16(22)14-5-3-13(11-17)4-6-14/h3-6H,7-10,12H2,1-2H3
InChIKeyAYRXIEMVAABWFD-UHFFFAOYSA-N
XLogP0.40
TPSA67.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823914
3-[4-(4-cyanobenzoyl)piperazin-1-yl]propanoic acid
CID 43522193
N,N-dimethyl-2-[4-(4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 55641955
4-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]benzonitrile
CID 15284673
4-(azepane-1-carbonyl)benzonitrile
CID 7964092
4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 21025530
4-[[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile
CID 17405678
2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide
CID 9223598
4-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazine-1-carbonyl]benzonitrile
CID 50953538
4-[[4-(4-ethylbenzoyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 51331648
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-phenylacetamide
CID 35231408

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide (CID 9021763) is 2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCN(C(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide?
The InChIKey is AYRXIEMVAABWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-18(2)15(21)12-19-7-9-20(10-8-19)16(22)14-5-3-13(11-17)4-6-14/h3-6H,7-10,12H2,1-2H3.
What are the key properties of 2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide?
2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide has a molecular weight of 300.36 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 9021763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).