1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

C20H33N3O2 — CID 71866895

IUPAC1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1CCC(=O)N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C20H33N3O2/c1-16(2)20-21-11-15-23(20)14-10-19(24)22-12-8-18(9-13-22)25-17-6-4-3-5-7-17/h11,15-18H,3-10,12-14H2,1-2H3
InChIKeyZSAVLLQPHOJSBE-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.74
Rot. Bonds6

About 1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 71866895) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
PubChem CID71866895
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCC(C)c1nccn1CCC(=O)N1CCC(OC2CCCCC2)CC1
InChIInChI=1S/C20H33N3O2/c1-16(2)20-21-11-15-23(20)14-10-19(24)22-12-8-18(9-13-22)25-17-6-4-3-5-7-17/h11,15-18H,3-10,12-14H2,1-2H3
InChIKeyZSAVLLQPHOJSBE-UHFFFAOYSA-N
XLogP3.74
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 71866895) is 1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is CC(C)c1nccn1CCC(=O)N1CCC(OC2CCCCC2)CC1.
What is the InChIKey of 1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is ZSAVLLQPHOJSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-16(2)20-21-11-15-23(20)14-10-19(24)22-12-8-18(9-13-22)25-17-6-4-3-5-7-17/h11,15-18H,3-10,12-14H2,1-2H3.
What are the key properties of 1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 347.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexyloxypiperidin-1-yl)-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 71866895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).