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

C17H25N3O3 — CID 162635206

IUPAC9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cc(CN2CCCC23CCCN(CCO)C3=O)ccn1
InChIInChI=1S/C17H25N3O3/c1-23-15-12-14(4-7-18-15)13-20-9-3-6-17(20)5-2-8-19(10-11-21)16(17)22/h4,7,12,21H,2-3,5-6,8-11,13H2,1H3
InChIKeyVKQGALOABAAMFL-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.04
Rot. Bonds5

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

9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162635206) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162635206
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCOc1cc(CN2CCCC23CCCN(CCO)C3=O)ccn1
InChIInChI=1S/C17H25N3O3/c1-23-15-12-14(4-7-18-15)13-20-9-3-6-17(20)5-2-8-19(10-11-21)16(17)22/h4,7,12,21H,2-3,5-6,8-11,13H2,1H3
InChIKeyVKQGALOABAAMFL-UHFFFAOYSA-N
XLogP1.04
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635884
1-[(6-methoxy-3-pyridinyl)methyl]-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162635875
9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163314005
7-[(2-methoxy-4-pyridinyl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 115948048
9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633473
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162626916
9-propyl-1-[(4-pyrazol-1-ylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162634042
[3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methanol
CID 66150197
1-[(4-methoxy-2-pyridinyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162630719
2-[(2-methoxy-4-pyridinyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914316
9-cyclopropyl-1-[(3-hydroxy-4-methoxyphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162628045
9-(2-hydroxyethyl)-1-[2-(3-hydroxyphenyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 157019313

Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162635206) is 9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is COc1cc(CN2CCCC23CCCN(CCO)C3=O)ccn1.
What is the InChIKey of 9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is VKQGALOABAAMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-23-15-12-14(4-7-18-15)13-20-9-3-6-17(20)5-2-8-19(10-11-21)16(17)22/h4,7,12,21H,2-3,5-6,8-11,13H2,1H3.
What are the key properties of 9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 319.40 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162635206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).