1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone

C15H25N3O2 — CID 91923921

IUPAC1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCOCCn1c(C)cnc1CC1CCN(C(C)=O)CC1
InChIInChI=1S/C15H25N3O2/c1-12-11-16-15(18(12)8-9-20-3)10-14-4-6-17(7-5-14)13(2)19/h11,14H,4-10H2,1-3H3
InChIKeyLRCGVARFWUDVAZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.64
Rot. Bonds5

About 1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 91923921) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone
PubChem CID91923921
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCOCCn1c(C)cnc1CC1CCN(C(C)=O)CC1
InChIInChI=1S/C15H25N3O2/c1-12-11-16-15(18(12)8-9-20-3)10-14-4-6-17(7-5-14)13(2)19/h11,14H,4-10H2,1-3H3
InChIKeyLRCGVARFWUDVAZ-UHFFFAOYSA-N
XLogP1.64
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone (CID 91923921) is 1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone is COCCn1c(C)cnc1CC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is LRCGVARFWUDVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-11-16-15(18(12)8-9-20-3)10-14-4-6-17(7-5-14)13(2)19/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 279.38 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 91923921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).