2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C16H27N3O — CID 58592719

IUPAC2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nc(CC(C)C)cn1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-12(2)9-15-10-19(14(4)17-15)11-16(20)18-7-5-13(3)6-8-18/h10,12-13H,5-9,11H2,1-4H3
InChIKeyCVOPTSPWOKNEET-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.65
Rot. Bonds4

About 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 58592719) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID58592719
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nc(CC(C)C)cn1CC(=O)N1CCC(C)CC1
InChIInChI=1S/C16H27N3O/c1-12(2)9-15-10-19(14(4)17-15)11-16(20)18-7-5-13(3)6-8-18/h10,12-13H,5-9,11H2,1-4H3
InChIKeyCVOPTSPWOKNEET-UHFFFAOYSA-N
XLogP2.65
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 58592719) is 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is Cc1nc(CC(C)C)cn1CC(=O)N1CCC(C)CC1.
What is the InChIKey of 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is CVOPTSPWOKNEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)9-15-10-19(14(4)17-15)11-16(20)18-7-5-13(3)6-8-18/h10,12-13H,5-9,11H2,1-4H3.
What are the key properties of 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 277.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 58592719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).