ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate

C34H46N2O5 — CID 134209669

IUPACethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC2(O)CCN(C(=O)C(C)CC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C34H46N2O5/c1-3-41-32(39)29-22-36(30(37)21-28(29)27-14-8-5-9-15-27)24-34(40)18-19-35(23-33(34)16-10-11-17-33)31(38)25(2)20-26-12-6-4-7-13-26/h5,8-9,14-15,21-22,25-26,40H,3-4,6-7,10-13,16-20,23-24H2,1-2H3
InChIKeyOZVZHIFFUVLAST-UHFFFAOYSA-N
MW562.75 g/mol
LogP5.82
Rot. Bonds8

About ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate

ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate (PubChem CID 134209669) has the molecular formula C34H46N2O5 and a molecular weight of 562.75 g/mol. Its IUPAC name is ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate
PubChem CID134209669
Molecular FormulaC34H46N2O5
Molecular Weight562.75 g/mol
Exact Mass562.34
IUPAC Nameethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC2(O)CCN(C(=O)C(C)CC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C34H46N2O5/c1-3-41-32(39)29-22-36(30(37)21-28(29)27-14-8-5-9-15-27)24-34(40)18-19-35(23-33(34)16-10-11-17-33)31(38)25(2)20-26-12-6-4-7-13-26/h5,8-9,14-15,21-22,25-26,40H,3-4,6-7,10-13,16-20,23-24H2,1-2H3
InChIKeyOZVZHIFFUVLAST-UHFFFAOYSA-N
XLogP5.82
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.75
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 134209622
ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate
CID 175292035
1-[[(5S)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-9-oxa-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 166633395
ethyl 1-[[(4S)-1-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 134209811
[2-[1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-5-(dimethylcarbamoyl)-2-oxo-4-pyridinyl]phenyl]methylcarbamic acid
CID 134209828
1-[[10-hydroxy-7-[(2R)-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218906
1-[[(10R)-7-(3-cyclobutyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
CID 139347063
1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one
CID 139346973
1-[[7-(2-cyclohexyloxypropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347016
1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one
CID 139347138
2-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-1-oxoisoquinoline-4-carboxamide
CID 139375611
tert-butyl 4-[1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carbonyl]piperazine-1-carboxylate
CID 139347336

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate (CID 134209669) is ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate is CCOC(=O)c1cn(CC2(O)CCN(C(=O)C(C)CC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1.
What is the InChIKey of ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate?
The InChIKey is OZVZHIFFUVLAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46N2O5/c1-3-41-32(39)29-22-36(30(37)21-28(29)27-14-8-5-9-15-27)24-34(40)18-19-35(23-33(34)16-10-11-17-33)31(38)25(2)20-26-12-6-4-7-13-26/h5,8-9,14-15,21-22,25-26,40H,3-4,6-7,10-13,16-20,23-24H2,1-2H3.
What are the key properties of ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate?
ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate has a molecular weight of 562.75 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 134209669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).