1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C16H23N3O3 — CID 162638924

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccnc(CN2CCCC23CCCNC3=O)c1OC
InChIInChI=1S/C16H23N3O3/c1-21-13-5-9-17-12(14(13)22-2)11-19-10-4-7-16(19)6-3-8-18-15(16)20/h5,9H,3-4,6-8,10-11H2,1-2H3,(H,18,20)
InChIKeyIRPGAUBIYZNGLL-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.34
Rot. Bonds4

About 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162638924) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162638924
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccnc(CN2CCCC23CCCNC3=O)c1OC
InChIInChI=1S/C16H23N3O3/c1-21-13-5-9-17-12(14(13)22-2)11-19-10-4-7-16(19)6-3-8-18-15(16)20/h5,9H,3-4,6-8,10-11H2,1-2H3,(H,18,20)
InChIKeyIRPGAUBIYZNGLL-UHFFFAOYSA-N
XLogP1.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162638924) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is COc1ccnc(CN2CCCC23CCCNC3=O)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is IRPGAUBIYZNGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-21-13-5-9-17-12(14(13)22-2)11-19-10-4-7-16(19)6-3-8-18-15(16)20/h5,9H,3-4,6-8,10-11H2,1-2H3,(H,18,20).
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 305.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162638924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).