1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide

C10H15N3O — CID 54257710

IUPAC1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide
SMILESC=C(C#N)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C10H15N3O/c1-8(5-11)6-13-4-2-3-9(7-13)10(12)14/h9H,1-4,6-7H2,(H2,12,14)
InChIKeyRBGIYTIRMSNENQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.26
Rot. Bonds3

About 1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide

1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide (PubChem CID 54257710) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide
PubChem CID54257710
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide
SMILESC=C(C#N)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C10H15N3O/c1-8(5-11)6-13-4-2-3-9(7-13)10(12)14/h9H,1-4,6-7H2,(H2,12,14)
InChIKeyRBGIYTIRMSNENQ-UHFFFAOYSA-N
XLogP0.26
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide (CID 54257710) is 1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide is C=C(C#N)CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide?
The InChIKey is RBGIYTIRMSNENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-8(5-11)6-13-4-2-3-9(7-13)10(12)14/h9H,1-4,6-7H2,(H2,12,14).
What are the key properties of 1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide?
1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanoprop-2-enyl)piperidine-3-carboxamide is sourced from PubChem (CID 54257710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).