3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide

C15H26N4O — CID 131925289

IUPAC3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCCC1(C(N)=O)CCCN(Cc2nc(C)c(C)n2C)C1
InChIInChI=1S/C15H26N4O/c1-5-15(14(16)20)7-6-8-19(10-15)9-13-17-11(2)12(3)18(13)4/h5-10H2,1-4H3,(H2,16,20)
InChIKeyOVRSDCVKDLSLQK-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.51
Rot. Bonds4

About 3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide

3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide (PubChem CID 131925289) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide
PubChem CID131925289
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide
SMILESCCC1(C(N)=O)CCCN(Cc2nc(C)c(C)n2C)C1
InChIInChI=1S/C15H26N4O/c1-5-15(14(16)20)7-6-8-19(10-15)9-13-17-11(2)12(3)18(13)4/h5-10H2,1-4H3,(H2,16,20)
InChIKeyOVRSDCVKDLSLQK-UHFFFAOYSA-N
XLogP1.51
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide (CID 131925289) is 3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide is CCC1(C(N)=O)CCCN(Cc2nc(C)c(C)n2C)C1.
What is the InChIKey of 3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide?
The InChIKey is OVRSDCVKDLSLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-15(14(16)20)7-6-8-19(10-15)9-13-17-11(2)12(3)18(13)4/h5-10H2,1-4H3,(H2,16,20).
What are the key properties of 3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide?
3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1,4,5-trimethylimidazol-2-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 131925289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).