2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide

C13H20N4O2 — CID 122360024

IUPAC2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide
SMILESCCCN1C(=O)CCC(C(N)=O)C1c1cncn1C
InChIInChI=1S/C13H20N4O2/c1-3-6-17-11(18)5-4-9(13(14)19)12(17)10-7-15-8-16(10)2/h7-9,12H,3-6H2,1-2H3,(H2,14,19)
InChIKeyZDVJJDJCVKXLQL-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.60
Rot. Bonds4

About 2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide

2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide (PubChem CID 122360024) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide
PubChem CID122360024
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide
SMILESCCCN1C(=O)CCC(C(N)=O)C1c1cncn1C
InChIInChI=1S/C13H20N4O2/c1-3-6-17-11(18)5-4-9(13(14)19)12(17)10-7-15-8-16(10)2/h7-9,12H,3-6H2,1-2H3,(H2,14,19)
InChIKeyZDVJJDJCVKXLQL-UHFFFAOYSA-N
XLogP0.60
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide?
The IUPAC name of 2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide (CID 122360024) is 2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide is CCCN1C(=O)CCC(C(N)=O)C1c1cncn1C.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide?
The InChIKey is ZDVJJDJCVKXLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-6-17-11(18)5-4-9(13(14)19)12(17)10-7-15-8-16(10)2/h7-9,12H,3-6H2,1-2H3,(H2,14,19).
What are the key properties of 2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide?
2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-6-oxo-1-propylpiperidine-3-carboxamide is sourced from PubChem (CID 122360024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).