1-(cyanomethyl)-N-propylpiperidine-2-carboxamide

C11H19N3O — CID 10998275

IUPAC1-(cyanomethyl)-N-propylpiperidine-2-carboxamide
SMILESCCCNC(=O)C1CCCCN1CC#N
InChIInChI=1S/C11H19N3O/c1-2-7-13-11(15)10-5-3-4-8-14(10)9-6-12/h10H,2-5,7-9H2,1H3,(H,13,15)
InChIKeyQVIFXODNUAOXGX-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.89
Rot. Bonds4

About 1-(cyanomethyl)-N-propylpiperidine-2-carboxamide

1-(cyanomethyl)-N-propylpiperidine-2-carboxamide (PubChem CID 10998275) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-(cyanomethyl)-N-propylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(cyanomethyl)-N-propylpiperidine-2-carboxamide
PubChem CID10998275
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-(cyanomethyl)-N-propylpiperidine-2-carboxamide
SMILESCCCNC(=O)C1CCCCN1CC#N
InChIInChI=1S/C11H19N3O/c1-2-7-13-11(15)10-5-3-4-8-14(10)9-6-12/h10H,2-5,7-9H2,1H3,(H,13,15)
InChIKeyQVIFXODNUAOXGX-UHFFFAOYSA-N
XLogP0.89
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-N-propylpiperidine-2-carboxamide?
The IUPAC name of 1-(cyanomethyl)-N-propylpiperidine-2-carboxamide (CID 10998275) is 1-(cyanomethyl)-N-propylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(cyanomethyl)-N-propylpiperidine-2-carboxamide?
The canonical SMILES for 1-(cyanomethyl)-N-propylpiperidine-2-carboxamide is CCCNC(=O)C1CCCCN1CC#N.
What is the InChIKey of 1-(cyanomethyl)-N-propylpiperidine-2-carboxamide?
The InChIKey is QVIFXODNUAOXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-7-13-11(15)10-5-3-4-8-14(10)9-6-12/h10H,2-5,7-9H2,1H3,(H,13,15).
What are the key properties of 1-(cyanomethyl)-N-propylpiperidine-2-carboxamide?
1-(cyanomethyl)-N-propylpiperidine-2-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-N-propylpiperidine-2-carboxamide is sourced from PubChem (CID 10998275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).