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

C17H27N3O2 — CID 91923920

IUPACcyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCOCCn1c(C)cnc1CC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H27N3O2/c1-13-12-18-16(20(13)9-10-22-2)11-14-5-7-19(8-6-14)17(21)15-3-4-15/h12,14-15H,3-11H2,1-2H3
InChIKeyXKWSOQUPYRXLKU-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.03
Rot. Bonds6

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

cyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 91923920) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is cyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID91923920
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Namecyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone
SMILESCOCCn1c(C)cnc1CC1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H27N3O2/c1-13-12-18-16(20(13)9-10-22-2)11-14-5-7-19(8-6-14)17(21)15-3-4-15/h12,14-15H,3-11H2,1-2H3
InChIKeyXKWSOQUPYRXLKU-UHFFFAOYSA-N
XLogP2.03
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone (CID 91923920) is cyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone is COCCn1c(C)cnc1CC1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is XKWSOQUPYRXLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-13-12-18-16(20(13)9-10-22-2)11-14-5-7-19(8-6-14)17(21)15-3-4-15/h12,14-15H,3-11H2,1-2H3.
What are the key properties of cyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone?
cyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 305.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 91923920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).