[3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C18H27N5O2 — CID 91923905

IUPAC[3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOCCn1c(C)cnc1CC1CCCN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C18H27N5O2/c1-14-12-19-17(23(14)9-10-25-3)11-15-5-4-8-22(13-15)18(24)16-6-7-20-21(16)2/h6-7,12,15H,4-5,8-11,13H2,1-3H3
InChIKeyWBYSYKAWAMNLAV-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.67
Rot. Bonds6

About [3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91923905) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91923905
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCOCCn1c(C)cnc1CC1CCCN(C(=O)c2ccnn2C)C1
InChIInChI=1S/C18H27N5O2/c1-14-12-19-17(23(14)9-10-25-3)11-15-5-4-8-22(13-15)18(24)16-6-7-20-21(16)2/h6-7,12,15H,4-5,8-11,13H2,1-3H3
InChIKeyWBYSYKAWAMNLAV-UHFFFAOYSA-N
XLogP1.67
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 91923905) is [3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is COCCn1c(C)cnc1CC1CCCN(C(=O)c2ccnn2C)C1.
What is the InChIKey of [3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is WBYSYKAWAMNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14-12-19-17(23(14)9-10-25-3)11-15-5-4-8-22(13-15)18(24)16-6-7-20-21(16)2/h6-7,12,15H,4-5,8-11,13H2,1-3H3.
What are the key properties of [3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(2-methoxyethyl)-5-methylimidazol-2-yl]methyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91923905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).