3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide

C15H23N5O — CID 121495545

IUPAC3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide
SMILESCCc1nccn1CCCNC(=O)N1CCCC(C#N)C1
InChIInChI=1S/C15H23N5O/c1-2-14-17-7-10-19(14)9-4-6-18-15(21)20-8-3-5-13(11-16)12-20/h7,10,13H,2-6,8-9,12H2,1H3,(H,18,21)
InChIKeyJSPJIDHGUUJJNS-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.78
Rot. Bonds5

About 3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide

3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide (PubChem CID 121495545) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide
PubChem CID121495545
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide
SMILESCCc1nccn1CCCNC(=O)N1CCCC(C#N)C1
InChIInChI=1S/C15H23N5O/c1-2-14-17-7-10-19(14)9-4-6-18-15(21)20-8-3-5-13(11-16)12-20/h7,10,13H,2-6,8-9,12H2,1H3,(H,18,21)
InChIKeyJSPJIDHGUUJJNS-UHFFFAOYSA-N
XLogP1.78
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclobutanecarbonyl)-N-[2-(2-ethylimidazol-1-yl)ethyl]piperidine-4-carboxamide
CID 72851366
4-[2-(2-ethylimidazol-1-yl)ethyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 90561883
N-[3-(2-ethylimidazol-1-yl)propyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126430718
(3S)-3-acetamido-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 95153240
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
N-[2-(2-ethylimidazol-1-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 91777093
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91793772
(2R)-N-[3-(2-ethylimidazol-1-yl)propyl]-2-phenylspiro[2.4]heptane-2-carboxamide
CID 126431492
(3R)-N-butyl-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 97275108
3-(hydroxymethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-carboxamide
CID 110895928
N-[3-(2-ethylimidazol-1-yl)propyl]furan-2-carboxamide
CID 13371088
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide?
The IUPAC name of 3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide (CID 121495545) is 3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide?
The canonical SMILES for 3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide is CCc1nccn1CCCNC(=O)N1CCCC(C#N)C1.
What is the InChIKey of 3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide?
The InChIKey is JSPJIDHGUUJJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-2-14-17-7-10-19(14)9-4-6-18-15(21)20-8-3-5-13(11-16)12-20/h7,10,13H,2-6,8-9,12H2,1H3,(H,18,21).
What are the key properties of 3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide?
3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(2-ethylimidazol-1-yl)propyl]piperidine-1-carboxamide is sourced from PubChem (CID 121495545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).