4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

C16H21N3O3 — CID 166282415

IUPAC4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cncc(CC(=O)N2CCC3(CC2)CNC(=O)C3O)c1
InChIInChI=1S/C16H21N3O3/c1-11-6-12(9-17-8-11)7-13(20)19-4-2-16(3-5-19)10-18-15(22)14(16)21/h6,8-9,14,21H,2-5,7,10H2,1H3,(H,18,22)
InChIKeyOLELTGIHIKTCRK-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.03
Rot. Bonds2

About 4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one

4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 166282415) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID166282415
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1cncc(CC(=O)N2CCC3(CC2)CNC(=O)C3O)c1
InChIInChI=1S/C16H21N3O3/c1-11-6-12(9-17-8-11)7-13(20)19-4-2-16(3-5-19)10-18-15(22)14(16)21/h6,8-9,14,21H,2-5,7,10H2,1H3,(H,18,22)
InChIKeyOLELTGIHIKTCRK-UHFFFAOYSA-N
XLogP0.03
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110114410
1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone
CID 171912252
2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110818393
N-[1-[2-(5-methyl-3-pyridinyl)acetyl]azepan-4-yl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 167905979
(5R)-9-(2-pyridin-3-ylacetyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95714313
1-[(5S,6S)-6-hydroxy-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-3-ylethanone
CID 110156144
2-(3,4-dichlorophenyl)-1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]ethanone
CID 133128631
2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone
CID 18985988
1-[3-[1-(1H-indole-5-carbonyl)piperidin-3-yl]piperidin-1-yl]-2-(5-methyl-3-pyridinyl)ethanone
CID 166328150
1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]-2-(3-fluoro-4-hydroxyphenyl)ethanone
CID 133121724
3-[(5-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 102881036

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one (CID 166282415) is 4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one is Cc1cncc(CC(=O)N2CCC3(CC2)CNC(=O)C3O)c1.
What is the InChIKey of 4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is OLELTGIHIKTCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-6-12(9-17-8-11)7-13(20)19-4-2-16(3-5-19)10-18-15(22)14(16)21/h6,8-9,14,21H,2-5,7,10H2,1H3,(H,18,22).
What are the key properties of 4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one?
4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 303.36 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-8-[2-(5-methyl-3-pyridinyl)acetyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 166282415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).