1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one

C16H23N3O2 — CID 162635875

IUPAC1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccc(CN2CCCC23CCCN(C)C3=O)cn1
InChIInChI=1S/C16H23N3O2/c1-18-9-3-7-16(15(18)20)8-4-10-19(16)12-13-5-6-14(21-2)17-11-13/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyLMLKELJIJKAYOE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.68
Rot. Bonds3

About 1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one

1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162635875) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162635875
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1ccc(CN2CCCC23CCCN(C)C3=O)cn1
InChIInChI=1S/C16H23N3O2/c1-18-9-3-7-16(15(18)20)8-4-10-19(16)12-13-5-6-14(21-2)17-11-13/h5-6,11H,3-4,7-10,12H2,1-2H3
InChIKeyLMLKELJIJKAYOE-UHFFFAOYSA-N
XLogP1.68
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635206
9-methyl-1-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633253
4-[(6-methoxy-3-pyridinyl)methyl]piperazine-2,6-dione
CID 55237904
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
formic acid;9-methyl-1-[[4-(3-morpholin-4-ylpropoxy)phenyl]methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 171317278
1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidine-2,3-dione
CID 62992277
1-[(2,3-difluorophenyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163317379
1-[[2-(2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163312463
2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849320
4-[[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 175649513
3-bromo-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-2-one
CID 63789999
(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99926029

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one (CID 162635875) is 1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one is COc1ccc(CN2CCCC23CCCN(C)C3=O)cn1.
What is the InChIKey of 1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is LMLKELJIJKAYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-9-3-7-16(15(18)20)8-4-10-19(16)12-13-5-6-14(21-2)17-11-13/h5-6,11H,3-4,7-10,12H2,1-2H3.
What are the key properties of 1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one?
1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 289.38 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162635875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).