3-(4-ethylpiperazine-1-carbonyl)benzonitrile

C14H17N3O — CID 24705245

IUPAC3-(4-ethylpiperazine-1-carbonyl)benzonitrile
SMILESCCN1CCN(C(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C14H17N3O/c1-2-16-6-8-17(9-7-16)14(18)13-5-3-4-12(10-13)11-15/h3-5,10H,2,6-9H2,1H3
InChIKeyIJMZEJHNXZRVNI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.34
Rot. Bonds2

About 3-(4-ethylpiperazine-1-carbonyl)benzonitrile

3-(4-ethylpiperazine-1-carbonyl)benzonitrile (PubChem CID 24705245) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(4-ethylpiperazine-1-carbonyl)benzonitrile.

Molecular Properties

Compound Name3-(4-ethylpiperazine-1-carbonyl)benzonitrile
PubChem CID24705245
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(4-ethylpiperazine-1-carbonyl)benzonitrile
SMILESCCN1CCN(C(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C14H17N3O/c1-2-16-6-8-17(9-7-16)14(18)13-5-3-4-12(10-13)11-15/h3-5,10H,2,6-9H2,1H3
InChIKeyIJMZEJHNXZRVNI-UHFFFAOYSA-N
XLogP1.34
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-propanoylpiperazine-1-carbonyl)benzonitrile
CID 110817109
3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]benzonitrile
CID 63656587
N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
CID 134043760
3-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 63308703
3-[4-(2-chloroethyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 63394832
3-[4-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazine-1-carbonyl]benzonitrile
CID 95289850
3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzonitrile
CID 110817697
3-(4-ethyl-3-methylpiperazine-1-carbonyl)benzonitrile
CID 63621797
3-(4-propylsulfonylpiperazine-1-carbonyl)benzonitrile
CID 110818216
3-(4-pentanoyl-1,4-diazepane-1-carbonyl)benzonitrile
CID 110797181
3-[4-[4-(dimethylamino)benzoyl]piperazine-1-carbonyl]benzonitrile
CID 110365202
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)benzonitrile?
The IUPAC name of 3-(4-ethylpiperazine-1-carbonyl)benzonitrile (CID 24705245) is 3-(4-ethylpiperazine-1-carbonyl)benzonitrile.
What is the SMILES notation for 3-(4-ethylpiperazine-1-carbonyl)benzonitrile?
The canonical SMILES for 3-(4-ethylpiperazine-1-carbonyl)benzonitrile is CCN1CCN(C(=O)c2cccc(C#N)c2)CC1.
What is the InChIKey of 3-(4-ethylpiperazine-1-carbonyl)benzonitrile?
The InChIKey is IJMZEJHNXZRVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-16-6-8-17(9-7-16)14(18)13-5-3-4-12(10-13)11-15/h3-5,10H,2,6-9H2,1H3.
What are the key properties of 3-(4-ethylpiperazine-1-carbonyl)benzonitrile?
3-(4-ethylpiperazine-1-carbonyl)benzonitrile has a molecular weight of 243.31 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazine-1-carbonyl)benzonitrile is sourced from PubChem (CID 24705245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).