(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone

C16H22N2O2 — CID 110197948

IUPAC(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCOC1CCC12CCN(C(=O)c1cnccc1C)CC2
InChIInChI=1S/C16H22N2O2/c1-12-4-8-17-11-13(12)15(19)18-9-6-16(7-10-18)5-3-14(16)20-2/h4,8,11,14H,3,5-7,9-10H2,1-2H3
InChIKeyPVHCNQAQYTZXAC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.42
Rot. Bonds2

About (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone

(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone (PubChem CID 110197948) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone
PubChem CID110197948
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone
SMILESCOC1CCC12CCN(C(=O)c1cnccc1C)CC2
InChIInChI=1S/C16H22N2O2/c1-12-4-8-17-11-13(12)15(19)18-9-6-16(7-10-18)5-3-14(16)20-2/h4,8,11,14H,3,5-7,9-10H2,1-2H3
InChIKeyPVHCNQAQYTZXAC-UHFFFAOYSA-N
XLogP2.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone (CID 110197948) is (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone is COC1CCC12CCN(C(=O)c1cnccc1C)CC2.
What is the InChIKey of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone?
The InChIKey is PVHCNQAQYTZXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-4-8-17-11-13(12)15(19)18-9-6-16(7-10-18)5-3-14(16)20-2/h4,8,11,14H,3,5-7,9-10H2,1-2H3.
What are the key properties of (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone?
(3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-7-azaspiro[3.5]nonan-7-yl)-(4-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 110197948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).