2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile

C15H15N5O — CID 169340413

IUPAC2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C15H15N5O/c16-10-12(11-17)18-19-14-7-3-2-6-13(14)15(21)20-8-4-1-5-9-20/h2-3,6-7,19H,1,4-5,8-9H2
InChIKeyRSYVPXDYAIJBKE-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.13
Rot. Bonds3

About 2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile

2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169340413) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
PubChem CID169340413
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccccc1C(=O)N1CCCCC1
InChIInChI=1S/C15H15N5O/c16-10-12(11-17)18-19-14-7-3-2-6-13(14)15(21)20-8-4-1-5-9-20/h2-3,6-7,19H,1,4-5,8-9H2
InChIKeyRSYVPXDYAIJBKE-UHFFFAOYSA-N
XLogP2.13
TPSA92.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[2-[2-(dicyanomethylidene)hydrazinyl]benzoyl]piperidine-3-carboxylate
CID 169340182
2-[[2-(pyrrolidine-1-carbonyl)anilino]methylidene]propanedinitrile
CID 47121471
2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339282
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
2-[[2-(pyridine-2-carbonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169337755
2-[2-(pyrrolidine-1-carbonyl)anilino]acetic acid
CID 50969463

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile (CID 169340413) is 2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccccc1C(=O)N1CCCCC1.
What is the InChIKey of 2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is RSYVPXDYAIJBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-10-12(11-17)18-19-14-7-3-2-6-13(14)15(21)20-8-4-1-5-9-20/h2-3,6-7,19H,1,4-5,8-9H2.
What are the key properties of 2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile?
2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 281.32 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(piperidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).