ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide

C12H23N3O — CID 143787729

IUPACethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide
SMILESC=C/C(=N\C)NC(=O)C1CCNCC1.CC
InChIInChI=1S/C10H17N3O.C2H6/c1-3-9(11-2)13-10(14)8-4-6-12-7-5-8;1-2/h3,8,12H,1,4-7H2,2H3,(H,11,13,14);1-2H3
InChIKeySDKZTJQJEXOEJT-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.34
Rot. Bonds2

About ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide

ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide (PubChem CID 143787729) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide.

Molecular Properties

Compound Nameethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide
PubChem CID143787729
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Nameethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide
SMILESC=C/C(=N\C)NC(=O)C1CCNCC1.CC
InChIInChI=1S/C10H17N3O.C2H6/c1-3-9(11-2)13-10(14)8-4-6-12-7-5-8;1-2/h3,8,12H,1,4-7H2,2H3,(H,11,13,14);1-2H3
InChIKeySDKZTJQJEXOEJT-UHFFFAOYSA-N
XLogP1.34
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide?
The IUPAC name of ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide (CID 143787729) is ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide.
What is the SMILES notation for ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide?
The canonical SMILES for ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide is C=C/C(=N\C)NC(=O)C1CCNCC1.CC.
What is the InChIKey of ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide?
The InChIKey is SDKZTJQJEXOEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O.C2H6/c1-3-9(11-2)13-10(14)8-4-6-12-7-5-8;1-2/h3,8,12H,1,4-7H2,2H3,(H,11,13,14);1-2H3.
What are the key properties of ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide?
ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide has a molecular weight of 225.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(C-ethenyl-N-methylcarbonimidoyl)piperidine-4-carboxamide is sourced from PubChem (CID 143787729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).