oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

C17H24N2O3 — CID 70770300

IUPACoxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C17H24N2O3/c20-17(15-5-10-21-11-6-15)19-8-3-16(4-9-19)22-13-14-2-1-7-18-12-14/h1-2,7,12,15-16H,3-6,8-11,13H2
InChIKeyKLWYYEMMXJAMHU-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.02
Rot. Bonds4

About oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone

oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 70770300) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
PubChem CID70770300
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameoxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
SMILESO=C(C1CCOCC1)N1CCC(OCc2cccnc2)CC1
InChIInChI=1S/C17H24N2O3/c20-17(15-5-10-21-11-6-15)19-8-3-16(4-9-19)22-13-14-2-1-7-18-12-14/h1-2,7,12,15-16H,3-6,8-11,13H2
InChIKeyKLWYYEMMXJAMHU-UHFFFAOYSA-N
XLogP2.02
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone (CID 70770300) is oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is O=C(C1CCOCC1)N1CCC(OCc2cccnc2)CC1.
What is the InChIKey of oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is KLWYYEMMXJAMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(15-5-10-21-11-6-15)19-8-3-16(4-9-19)22-13-14-2-1-7-18-12-14/h1-2,7,12,15-16H,3-6,8-11,13H2.
What are the key properties of oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone?
oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 70770300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).