1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile

C10H10ClN3OS — CID 80642611

IUPAC1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)c1sccc1Cl
InChIInChI=1S/C10H10ClN3OS/c11-8-1-4-16-9(8)10(15)14-3-2-13-6-7(14)5-12/h1,4,7,13H,2-3,6H2
InChIKeyPKNBHYPMANSUOA-UHFFFAOYSA-N
MW255.73 g/mol
LogP1.34
Rot. Bonds1

About 1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile

1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile (PubChem CID 80642611) has the molecular formula C10H10ClN3OS and a molecular weight of 255.73 g/mol. Its IUPAC name is 1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile
PubChem CID80642611
Molecular FormulaC10H10ClN3OS
Molecular Weight255.73 g/mol
Exact Mass255.02
IUPAC Name1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)c1sccc1Cl
InChIInChI=1S/C10H10ClN3OS/c11-8-1-4-16-9(8)10(15)14-3-2-13-6-7(14)5-12/h1,4,7,13H,2-3,6H2
InChIKeyPKNBHYPMANSUOA-UHFFFAOYSA-N
XLogP1.34
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-6-fluorobenzoyl)piperazine-2-carbonitrile
CID 79085482
1-(4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79085900
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-chlorothiophen-2-yl)methanone
CID 80640867
1-(4-ethylbenzoyl)piperazine-2-carbonitrile
CID 79085258
4-(3-chlorothiophene-2-carbonyl)morpholine-2-carbonitrile
CID 80644121
1-(4-fluoro-2-hydroxybenzoyl)piperazine-2-carbonitrile
CID 107015971
1-(2-oxo-1,3-dihydroindole-6-carbonyl)piperazine-2-carbonitrile
CID 102711618
1-(3-fluoro-4-methylbenzoyl)piperazine-2-carbonitrile
CID 79086259
1-(1,3-dihydro-2-benzofuran-5-carbonyl)piperazine-2-carbonitrile
CID 79086360
1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazine-2-carbonitrile
CID 79086252
methyl 2-cyanopiperazine-1-carboxylate
CID 79091281
1-(2-methoxypyridine-3-carbonyl)piperazine-2-carbonitrile
CID 79086365

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile (CID 80642611) is 1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile is N#CC1CNCCN1C(=O)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile?
The InChIKey is PKNBHYPMANSUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3OS/c11-8-1-4-16-9(8)10(15)14-3-2-13-6-7(14)5-12/h1,4,7,13H,2-3,6H2.
What are the key properties of 1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile?
1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile has a molecular weight of 255.73 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophene-2-carbonyl)piperazine-2-carbonitrile is sourced from PubChem (CID 80642611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).