(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone

C16H22N2O3 — CID 131663291

IUPAC(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCOC1COC2(CCN(C(=O)c3cncc(C)c3)CC2)C1
InChIInChI=1S/C16H22N2O3/c1-12-7-13(10-17-9-12)15(19)18-5-3-16(4-6-18)8-14(20-2)11-21-16/h7,9-10,14H,3-6,8,11H2,1-2H3
InChIKeyORNCIKPXDKVHBW-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.80
Rot. Bonds2

About (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone

(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 131663291) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone
PubChem CID131663291
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCOC1COC2(CCN(C(=O)c3cncc(C)c3)CC2)C1
InChIInChI=1S/C16H22N2O3/c1-12-7-13(10-17-9-12)15(19)18-5-3-16(4-6-18)8-14(20-2)11-21-16/h7,9-10,14H,3-6,8,11H2,1-2H3
InChIKeyORNCIKPXDKVHBW-UHFFFAOYSA-N
XLogP1.80
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone (CID 131663291) is (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone is COC1COC2(CCN(C(=O)c3cncc(C)c3)CC2)C1.
What is the InChIKey of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is ORNCIKPXDKVHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-7-13(10-17-9-12)15(19)18-5-3-16(4-6-18)8-14(20-2)11-21-16/h7,9-10,14H,3-6,8,11H2,1-2H3.
What are the key properties of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone?
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 290.36 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 131663291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).