3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide

C16H28N4O — CID 118792899

IUPAC3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)CCC2CCN(C)CC2)n(C)c1C
InChIInChI=1S/C16H28N4O/c1-12-13(2)20(4)15(18-12)11-17-16(21)6-5-14-7-9-19(3)10-8-14/h14H,5-11H2,1-4H3,(H,17,21)
InChIKeyYJLMWINDESAZGK-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.78
Rot. Bonds5

About 3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide

3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide (PubChem CID 118792899) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide
PubChem CID118792899
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)CCC2CCN(C)CC2)n(C)c1C
InChIInChI=1S/C16H28N4O/c1-12-13(2)20(4)15(18-12)11-17-16(21)6-5-14-7-9-19(3)10-8-14/h14H,5-11H2,1-4H3,(H,17,21)
InChIKeyYJLMWINDESAZGK-UHFFFAOYSA-N
XLogP1.78
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide (CID 118792899) is 3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide is Cc1nc(CNC(=O)CCC2CCN(C)CC2)n(C)c1C.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide?
The InChIKey is YJLMWINDESAZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-12-13(2)20(4)15(18-12)11-17-16(21)6-5-14-7-9-19(3)10-8-14/h14H,5-11H2,1-4H3,(H,17,21).
What are the key properties of 3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide?
3-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide has a molecular weight of 292.43 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-(1-methylpiperidin-4-yl)-N-[(1,4,5-trimethylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 118792899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).