(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone

C16H22N2O4 — CID 131689296

IUPAC(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)N1CCC2(CC1)CC(OC)CO2
InChIInChI=1S/C16H22N2O4/c1-20-12-9-16(22-11-12)4-7-18(8-5-16)15(19)13-3-6-17-10-14(13)21-2/h3,6,10,12H,4-5,7-9,11H2,1-2H3
InChIKeyLKZQKKZUWKTAIC-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.50
Rot. Bonds3

About (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone

(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone (PubChem CID 131689296) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone
PubChem CID131689296
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)N1CCC2(CC1)CC(OC)CO2
InChIInChI=1S/C16H22N2O4/c1-20-12-9-16(22-11-12)4-7-18(8-5-16)15(19)13-3-6-17-10-14(13)21-2/h3,6,10,12H,4-5,7-9,11H2,1-2H3
InChIKeyLKZQKKZUWKTAIC-UHFFFAOYSA-N
XLogP1.50
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone?
The IUPAC name of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone (CID 131689296) is (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone?
The canonical SMILES for (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone is COc1cnccc1C(=O)N1CCC2(CC1)CC(OC)CO2.
What is the InChIKey of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone?
The InChIKey is LKZQKKZUWKTAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-20-12-9-16(22-11-12)4-7-18(8-5-16)15(19)13-3-6-17-10-14(13)21-2/h3,6,10,12H,4-5,7-9,11H2,1-2H3.
What are the key properties of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone?
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone has a molecular weight of 306.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(3-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 131689296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).