tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate

C26H34N2O4 — CID 151381307

IUPACtert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(Cn2ccc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C26H34N2O4/c1-24(2,3)32-23(30)28-16-14-26(31,25(18-28)12-7-8-13-25)19-27-15-11-21(17-22(27)29)20-9-5-4-6-10-20/h4-6,9-11,15,17,31H,7-8,12-14,16,18-19H2,1-3H3
InChIKeyOSLVHTKIHUYENQ-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.45
Rot. Bonds3

About tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate

tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate (PubChem CID 151381307) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
PubChem CID151381307
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Nametert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(Cn2ccc(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C26H34N2O4/c1-24(2,3)32-23(30)28-16-14-26(31,25(18-28)12-7-8-13-25)19-27-15-11-21(17-22(27)29)20-9-5-4-6-10-20/h4-6,9-11,15,17,31H,7-8,12-14,16,18-19H2,1-3H3
InChIKeyOSLVHTKIHUYENQ-UHFFFAOYSA-N
XLogP4.45
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate with MolForge

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Related Compounds

tert-butyl (10R)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 165141849
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
tert-butyl (4R)-3,3-dimethyl-4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
CID 167460415
tert-butyl 10-hydroxy-10-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 150259503
tert-butyl 4-[(2-oxo-4-phenyl-1-pyridinyl)methyl]piperidine-1-carboxylate
CID 165142044
tert-butyl 10-hydroxy-10-[(2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 151860336
tert-butyl (3R)-4-[(10S)-10-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-3-phenylpiperazine-1-carboxylate
CID 150904161
tert-butyl (3R)-4-[(10S)-10-hydroxy-10-[[4-(2-methylpyrazol-3-yl)-6-oxopyrimidin-1-yl]methyl]-7-azaspiro[4.5]decane-7-carbonyl]-3-phenylpiperazine-1-carboxylate
CID 151833353
tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 150646824
1-[(7-butanoyl-10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218904
1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347160
tert-butyl 4-[[5-bromo-4-(2-fluorophenyl)-2-oxo-1-pyridinyl]methyl]-4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
CID 134210077

Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate?
The IUPAC name of tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate (CID 151381307) is tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(Cn2ccc(-c3ccccc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate?
The InChIKey is OSLVHTKIHUYENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-24(2,3)32-23(30)28-16-14-26(31,25(18-28)12-7-8-13-25)19-27-15-11-21(17-22(27)29)20-9-5-4-6-10-20/h4-6,9-11,15,17,31H,7-8,12-14,16,18-19H2,1-3H3.
What are the key properties of tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate?
tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate has a molecular weight of 438.57 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 151381307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).