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

C17H24N2O2 — CID 95845794

IUPACoxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC[C@H](Cc2ccccn2)C1
InChIInChI=1S/C17H24N2O2/c20-17(15-6-10-21-11-7-15)19-9-3-4-14(13-19)12-16-5-1-2-8-18-16/h1-2,5,8,14-15H,3-4,6-7,9-13H2/t14-/m1/s1
InChIKeyIZPBCXBAVOFUEP-CQSZACIVSA-N
MW288.39 g/mol
LogP2.29
Rot. Bonds3

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

oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 95845794) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID95845794
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nameoxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC[C@H](Cc2ccccn2)C1
InChIInChI=1S/C17H24N2O2/c20-17(15-6-10-21-11-7-15)19-9-3-4-14(13-19)12-16-5-1-2-8-18-16/h1-2,5,8,14-15H,3-4,6-7,9-13H2/t14-/m1/s1
InChIKeyIZPBCXBAVOFUEP-CQSZACIVSA-N
XLogP2.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 155983969
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 96580580
(2-cyclopropylpyrimidin-5-yl)-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 125026604
3-phenyl-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 124971365
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124986057
3-methoxy-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 110270825
3-methoxy-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]propan-1-one
CID 95845204
[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 175652360
N-[2-oxo-2-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethyl]methanesulfonamide
CID 110271111
2-(2-methoxyphenyl)-1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 175652372

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (CID 95845794) is oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is O=C(C1CCOCC1)N1CCC[C@H](Cc2ccccn2)C1.
What is the InChIKey of oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is IZPBCXBAVOFUEP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(15-6-10-21-11-7-15)19-9-3-4-14(13-19)12-16-5-1-2-8-18-16/h1-2,5,8,14-15H,3-4,6-7,9-13H2/t14-/m1/s1.
What are the key properties of oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 288.39 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95845794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).