9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane

C16H25N3O2 — CID 97396244

IUPAC9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOc1ncccc1CN1CCC2(CC1)COCCN2C
InChIInChI=1S/C16H25N3O2/c1-18-10-11-21-13-16(18)5-8-19(9-6-16)12-14-4-3-7-17-15(14)20-2/h3-4,7H,5-6,8-13H2,1-2H3
InChIKeyMGOYRAKKDGVHOI-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.39
Rot. Bonds3

About 9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane

9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane (PubChem CID 97396244) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
PubChem CID97396244
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane
SMILESCOc1ncccc1CN1CCC2(CC1)COCCN2C
InChIInChI=1S/C16H25N3O2/c1-18-10-11-21-13-16(18)5-8-19(9-6-16)12-14-4-3-7-17-15(14)20-2/h3-4,7H,5-6,8-13H2,1-2H3
InChIKeyMGOYRAKKDGVHOI-UHFFFAOYSA-N
XLogP1.39
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane (CID 97396244) is 9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane is COc1ncccc1CN1CCC2(CC1)COCCN2C.
What is the InChIKey of 9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
The InChIKey is MGOYRAKKDGVHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-18-10-11-21-13-16(18)5-8-19(9-6-16)12-14-4-3-7-17-15(14)20-2/h3-4,7H,5-6,8-13H2,1-2H3.
What are the key properties of 9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane?
9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane has a molecular weight of 291.39 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methoxy-3-pyridinyl)methyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97396244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).