oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone

C15H20N2O3 — CID 110196255

IUPACoxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C15H20N2O3/c18-15(12-4-8-19-9-5-12)17-7-3-14(11-17)20-13-2-1-6-16-10-13/h1-2,6,10,12,14H,3-5,7-9,11H2
InChIKeyIKQHZEBTCOJCHY-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.49
Rot. Bonds3

About oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone

oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone (PubChem CID 110196255) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Nameoxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
PubChem CID110196255
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameoxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(C1CCOCC1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C15H20N2O3/c18-15(12-4-8-19-9-5-12)17-7-3-14(11-17)20-13-2-1-6-16-10-13/h1-2,6,10,12,14H,3-5,7-9,11H2
InChIKeyIKQHZEBTCOJCHY-UHFFFAOYSA-N
XLogP1.49
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone (CID 110196255) is oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone is O=C(C1CCOCC1)N1CCC(Oc2cccnc2)C1.
What is the InChIKey of oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The InChIKey is IKQHZEBTCOJCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-15(12-4-8-19-9-5-12)17-7-3-14(11-17)20-13-2-1-6-16-10-13/h1-2,6,10,12,14H,3-5,7-9,11H2.
What are the key properties of oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone has a molecular weight of 276.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 110196255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).