1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone

C24H29N3O3 — CID 171912252

IUPAC1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC3(CC2)CC(O)CN(C(=O)c2cccnc2)C3)c1
InChIInChI=1S/C24H29N3O3/c1-18-4-2-5-19(12-18)13-22(29)26-10-7-24(8-11-26)14-21(28)16-27(17-24)23(30)20-6-3-9-25-15-20/h2-6,9,12,15,21,28H,7-8,10-11,13-14,16-17H2,1H3
InChIKeyYFHYASIPHOATEG-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.45
Rot. Bonds3

About 1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone

1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone (PubChem CID 171912252) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone
PubChem CID171912252
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC3(CC2)CC(O)CN(C(=O)c2cccnc2)C3)c1
InChIInChI=1S/C24H29N3O3/c1-18-4-2-5-19(12-18)13-22(29)26-10-7-24(8-11-26)14-21(28)16-27(17-24)23(30)20-6-3-9-25-15-20/h2-6,9,12,15,21,28H,7-8,10-11,13-14,16-17H2,1H3
InChIKeyYFHYASIPHOATEG-UHFFFAOYSA-N
XLogP2.45
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone
CID 171913207
2-(3-methylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 110818393
[4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone
CID 171907043
[9-[(2-fluoro-4-methoxyphenyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone
CID 171910976
(5R)-2-[(3-methylphenyl)methyl]-7-(pyridine-3-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373855
1-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 58347886
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 66291636
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124985805
1-[2-(3-methylphenyl)acetyl]-4-[(3-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805777
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
1-[4-methyl-4-(methylamino)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 115304471
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone (CID 171912252) is 1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCC3(CC2)CC(O)CN(C(=O)c2cccnc2)C3)c1.
What is the InChIKey of 1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is YFHYASIPHOATEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18-4-2-5-19(12-18)13-22(29)26-10-7-24(8-11-26)14-21(28)16-27(17-24)23(30)20-6-3-9-25-15-20/h2-6,9,12,15,21,28H,7-8,10-11,13-14,16-17H2,1H3.
What are the key properties of 1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone?
1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 407.51 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 171912252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).