4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide

C19H32N4O2 — CID 91923574

IUPAC4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(Cn2c(C)cnc2C2CCOCC2)CC1
InChIInChI=1S/C19H32N4O2/c1-3-8-20-19(24)22-9-4-16(5-10-22)14-23-15(2)13-21-18(23)17-6-11-25-12-7-17/h13,16-17H,3-12,14H2,1-2H3,(H,20,24)
InChIKeyOFODFPJRHYLCEB-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.92
Rot. Bonds5

About 4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide

4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide (PubChem CID 91923574) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide
PubChem CID91923574
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide
SMILESCCCNC(=O)N1CCC(Cn2c(C)cnc2C2CCOCC2)CC1
InChIInChI=1S/C19H32N4O2/c1-3-8-20-19(24)22-9-4-16(5-10-22)14-23-15(2)13-21-18(23)17-6-11-25-12-7-17/h13,16-17H,3-12,14H2,1-2H3,(H,20,24)
InChIKeyOFODFPJRHYLCEB-UHFFFAOYSA-N
XLogP2.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide?
The IUPAC name of 4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide (CID 91923574) is 4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide is CCCNC(=O)N1CCC(Cn2c(C)cnc2C2CCOCC2)CC1.
What is the InChIKey of 4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide?
The InChIKey is OFODFPJRHYLCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-3-8-20-19(24)22-9-4-16(5-10-22)14-23-15(2)13-21-18(23)17-6-11-25-12-7-17/h13,16-17H,3-12,14H2,1-2H3,(H,20,24).
What are the key properties of 4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide?
4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-2-(oxan-4-yl)imidazol-1-yl]methyl]-N-propylpiperidine-1-carboxamide is sourced from PubChem (CID 91923574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).