2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone

C18H26N2O2 — CID 119068773

IUPAC2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCOC1)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C18H26N2O2/c21-18(12-17-4-2-10-22-14-17)20-8-5-15(6-9-20)11-16-3-1-7-19-13-16/h1,3,7,13,15,17H,2,4-6,8-12,14H2
InChIKeyGXJWOIPWTZZFLY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.68
Rot. Bonds4

About 2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone

2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 119068773) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
PubChem CID119068773
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
SMILESO=C(CC1CCCOC1)N1CCC(Cc2cccnc2)CC1
InChIInChI=1S/C18H26N2O2/c21-18(12-17-4-2-10-22-14-17)20-8-5-15(6-9-20)11-16-3-1-7-19-13-16/h1,3,7,13,15,17H,2,4-6,8-12,14H2
InChIKeyGXJWOIPWTZZFLY-UHFFFAOYSA-N
XLogP2.68
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-oxolan-2-yl]-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 136580768
2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide
CID 119062728
2-hydroxy-1-[3-(pyridin-3-ylmethyl)pyrrolidin-1-yl]ethanone
CID 110269394
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
CID 126441295
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-morpholin-4-yl-2-(oxan-3-yl)ethanone
CID 110849361
(3-hydroxy-3-methylcyclobutyl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 170372559
2-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124995664
2-(4-methylcyclohexyl)oxy-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 136538935
3-(4-methyl-1,3-thiazol-5-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 136547554
1-(oxolan-3-yl)-3-pyridin-3-ylpropan-1-one
CID 105099703

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone (CID 119068773) is 2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone is O=C(CC1CCCOC1)N1CCC(Cc2cccnc2)CC1.
What is the InChIKey of 2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is GXJWOIPWTZZFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(12-17-4-2-10-22-14-17)20-8-5-15(6-9-20)11-16-3-1-7-19-13-16/h1,3,7,13,15,17H,2,4-6,8-12,14H2.
What are the key properties of 2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone?
2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-1-[4-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 119068773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).