1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride

C21H27ClN2O2 — CID 156903452

IUPAC1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride
SMILESCl.O=c1cc(-c2ccccc2)ccn1CC1(O)CCNCC12CCCC2
InChIInChI=1S/C21H26N2O2.ClH/c24-19-14-18(17-6-2-1-3-7-17)8-13-23(19)16-21(25)11-12-22-15-20(21)9-4-5-10-20;/h1-3,6-8,13-14,22,25H,4-5,9-12,15-16H2;1H
InChIKeyVQKMODMYMRCYTD-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.22
Rot. Bonds3

About 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride

1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride (PubChem CID 156903452) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride
PubChem CID156903452
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride
SMILESCl.O=c1cc(-c2ccccc2)ccn1CC1(O)CCNCC12CCCC2
InChIInChI=1S/C21H26N2O2.ClH/c24-19-14-18(17-6-2-1-3-7-17)8-13-23(19)16-21(25)11-12-22-15-20(21)9-4-5-10-20;/h1-3,6-8,13-14,22,25H,4-5,9-12,15-16H2;1H
InChIKeyVQKMODMYMRCYTD-UHFFFAOYSA-N
XLogP3.22
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride with MolForge

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Related Compounds

1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 145450484
tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 151381307
[10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decan-10-yl] 2-propyloctanoate
CID 175163513
3-[(4-hydroxy-3,3-dimethylpiperidin-4-yl)methyl]-6-phenylpyrimidin-4-one
CID 139347168
4-[10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carbonyl]-3-phenylpiperazine-1-carboxylic acid
CID 139370569
4-chloro-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-5-methylsulfinylpyridin-2-one
CID 139370426
ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate
CID 175292061
3-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 139370033
3-[[7-(5-azaspiro[2.5]octane-5-carbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627496
tert-butyl (10R)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 165141849
3-[[(10S)-10-hydroxy-7-(2-thiophen-2-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146670925
3-[[(10S)-7-[2-(3,4-difluorophenyl)piperazine-1-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627507

Frequently Asked Questions

What is the IUPAC name of 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride?
The IUPAC name of 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride (CID 156903452) is 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride.
What is the SMILES notation for 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride?
The canonical SMILES for 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride is Cl.O=c1cc(-c2ccccc2)ccn1CC1(O)CCNCC12CCCC2.
What is the InChIKey of 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride?
The InChIKey is VQKMODMYMRCYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c24-19-14-18(17-6-2-1-3-7-17)8-13-23(19)16-21(25)11-12-22-15-20(21)9-4-5-10-20;/h1-3,6-8,13-14,22,25H,4-5,9-12,15-16H2;1H.
What are the key properties of 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride?
1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride is sourced from PubChem (CID 156903452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).