3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile

C15H19N3O — CID 63621797

IUPAC3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile
SMILESCCN1CCN(C(=O)c2cccc(C#N)c2)CC1C
InChIInChI=1S/C15H19N3O/c1-3-17-7-8-18(11-12(17)2)15(19)14-6-4-5-13(9-14)10-16/h4-6,9,12H,3,7-8,11H2,1-2H3
InChIKeySMJFNHCLSIPKNQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.72
Rot. Bonds2

About 3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile

3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile (PubChem CID 63621797) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile
PubChem CID63621797
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile
SMILESCCN1CCN(C(=O)c2cccc(C#N)c2)CC1C
InChIInChI=1S/C15H19N3O/c1-3-17-7-8-18(11-12(17)2)15(19)14-6-4-5-13(9-14)10-16/h4-6,9,12H,3,7-8,11H2,1-2H3
InChIKeySMJFNHCLSIPKNQ-UHFFFAOYSA-N
XLogP1.72
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
3-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]benzonitrile
CID 2470279
3-(3-ethylpyrrolidine-1-carbonyl)benzonitrile
CID 112697926
3-(4-propanoylpiperazine-1-carbonyl)benzonitrile
CID 110817109
3-[(3R)-3-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]piperidine-1-carbonyl]benzonitrile
CID 94822438
3-[4-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazine-1-carbonyl]benzonitrile
CID 95289850
3-[3-(methoxymethyl)piperidine-1-carbonyl]benzonitrile
CID 90504865
3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)benzonitrile
CID 63515337
3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzonitrile
CID 110817697
3-(4-hydroxypiperidine-1-carbonyl)benzonitrile
CID 24690177
(4-ethyl-3-methylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63620718
3-(4-propylsulfonylpiperazine-1-carbonyl)benzonitrile
CID 110818216

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile?
The IUPAC name of 3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile (CID 63621797) is 3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile.
What is the SMILES notation for 3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile?
The canonical SMILES for 3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile is CCN1CCN(C(=O)c2cccc(C#N)c2)CC1C.
What is the InChIKey of 3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile?
The InChIKey is SMJFNHCLSIPKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-17-7-8-18(11-12(17)2)15(19)14-6-4-5-13(9-14)10-16/h4-6,9,12H,3,7-8,11H2,1-2H3.
What are the key properties of 3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile?
3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile is sourced from PubChem (CID 63621797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).