1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile

C14H15N3O2 — CID 79086360

IUPAC1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H15N3O2/c15-6-13-7-16-3-4-17(13)14(18)10-1-2-11-8-19-9-12(11)5-10/h1-2,5,13,16H,3-4,7-9H2
InChIKeyFULVAFAIACUYQT-UHFFFAOYSA-N
MW257.29 g/mol
LogP0.65
Rot. Bonds1

About 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile

1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile (PubChem CID 79086360) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile
PubChem CID79086360
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C14H15N3O2/c15-6-13-7-16-3-4-17(13)14(18)10-1-2-11-8-19-9-12(11)5-10/h1-2,5,13,16H,3-4,7-9H2
InChIKeyFULVAFAIACUYQT-UHFFFAOYSA-N
XLogP0.65
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile
CID 102711618
1-(3-fluoro-4-methylbenzoyl)piperazine-2-carbonitrile
CID 79086259
1-(4-ethylbenzoyl)piperazine-2-carbonitrile
CID 79085258
1-(4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79085900
1-(quinoline-6-carbonyl)piperazine-2-carbonitrile
CID 79086471
1-(3-fluoro-4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79086554
1-(4-fluoro-2-hydroxybenzoyl)piperazine-2-carbonitrile
CID 107015971
1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 65463334
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile
CID 79086252
1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile
CID 80642611
1,3-dihydro-2-benzofuran-5-yl-(4-hydroxypiperidin-1-yl)methanone
CID 62112159
1-(2-chloro-6-fluorobenzoyl)piperazine-2-carbonitrile
CID 79085482

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile (CID 79086360) is 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile is N#CC1CNCCN1C(=O)c1ccc2c(c1)COC2.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile?
The InChIKey is FULVAFAIACUYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-6-13-7-16-3-4-17(13)14(18)10-1-2-11-8-19-9-12(11)5-10/h1-2,5,13,16H,3-4,7-9H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile?
1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile has a molecular weight of 257.29 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79086360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).