1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile

C14H14N4O2 — CID 102711618

IUPAC1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C14H14N4O2/c15-7-11-8-16-3-4-18(11)14(20)10-2-1-9-6-13(19)17-12(9)5-10/h1-2,5,11,16H,3-4,6,8H2,(H,17,19)
InChIKeyWCSZYVWFQWMEFV-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.12
Rot. Bonds1

About 1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile

1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile (PubChem CID 102711618) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile
PubChem CID102711618
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C14H14N4O2/c15-7-11-8-16-3-4-18(11)14(20)10-2-1-9-6-13(19)17-12(9)5-10/h1-2,5,11,16H,3-4,6,8H2,(H,17,19)
InChIKeyWCSZYVWFQWMEFV-UHFFFAOYSA-N
XLogP0.12
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile
CID 79086360
1-(3-fluoro-4-methylbenzoyl)piperazine-2-carbonitrile
CID 79086259
1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid
CID 102711591
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
4-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2,6-dione
CID 102712523
6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711587
6-(3-methyl-1,1-dioxo-1,4-thiazinane-4-carbonyl)-1,3-dihydroindol-2-one
CID 102737404
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile
CID 79086252
4-hydroxy-1-(2-oxo-1,3-dihydroindole-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 102710605

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile (CID 102711618) is 1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile is N#CC1CNCCN1C(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of 1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile?
The InChIKey is WCSZYVWFQWMEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-7-11-8-16-3-4-18(11)14(20)10-2-1-9-6-13(19)17-12(9)5-10/h1-2,5,11,16H,3-4,6,8H2,(H,17,19).
What are the key properties of 1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile?
1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile is sourced from PubChem (CID 102711618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).