N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide

C14H23N3O — CID 13041038

IUPACN-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide
SMILESC=C(C#N)CN1CCC(C(=O)NCCCC)CC1
InChIInChI=1S/C14H23N3O/c1-3-4-7-16-14(18)13-5-8-17(9-6-13)11-12(2)10-15/h13H,2-9,11H2,1H3,(H,16,18)
InChIKeyODNHNLDZXMCHQH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.69
Rot. Bonds6

About N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide

N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide (PubChem CID 13041038) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide
PubChem CID13041038
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide
SMILESC=C(C#N)CN1CCC(C(=O)NCCCC)CC1
InChIInChI=1S/C14H23N3O/c1-3-4-7-16-14(18)13-5-8-17(9-6-13)11-12(2)10-15/h13H,2-9,11H2,1H3,(H,16,18)
InChIKeyODNHNLDZXMCHQH-UHFFFAOYSA-N
XLogP1.69
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide (CID 13041038) is N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide is C=C(C#N)CN1CCC(C(=O)NCCCC)CC1.
What is the InChIKey of N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide?
The InChIKey is ODNHNLDZXMCHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-4-7-16-14(18)13-5-8-17(9-6-13)11-12(2)10-15/h13H,2-9,11H2,1H3,(H,16,18).
What are the key properties of N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide?
N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-cyanoprop-2-enyl)piperidine-4-carboxamide is sourced from PubChem (CID 13041038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).