3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid

C128H147FN12O18 — CID 162232127

IUPAC3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
SMILESCCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(C)c1-c1ncc(C)cc1F.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cn2)C3)cc(OCC)c1-c1ccc(C)cc1.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)nc2)C3)cc(OCC)c1-c1ccc(C)cc1.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2cccc(C(N)=O)c2)C3)cc(OCC)c1-c1ccc(C)cc1
InChIInChI=1S/C33H39N3O4.2C32H37N3O5.C31H34FN3O4/c1-4-39-28-17-24(18-29(40-5-2)31(28)25-11-9-23(3)10-12-25)21-35-15-13-33(14-16-35)20-30(37)36(22-33)27-8-6-7-26(19-27)32(34)38;1-4-39-26-16-23(17-27(40-5-2)30(26)24-8-6-22(3)7-9-24)20-34-14-12-32(13-15-34)18-29(36)35(21-32)28-11-10-25(19-33-28)31(37)38;1-4-39-27-16-23(17-28(40-5-2)30(27)24-8-6-22(3)7-9-24)20-34-14-12-32(13-15-34)18-29(36)35(21-32)25-10-11-26(31(37)38)33-19-25;1-4-39-26-15-22(14-21(3)28(26)29-25(32)13-20(2)17-33-29)18-34-11-9-31(10-12-34)16-27(36)35(19-31)24-7-5-23(6-8-24)30(37)38/h6-12,17-19H,4-5,13-16,20-22H2,1-3H3,(H2,34,38);2*6-11,16-17,19H,4-5,12-15,18,20-21H2,1-3H3,(H,37,38);5-8,13-15,17H,4,9-12,16,18-19H2,1-3H3,(H,37,38)
InChIKeyZVOLILRAKFOBCY-UHFFFAOYSA-N
MW2160.65 g/mol
LogP22.34
Rot. Bonds34

About 3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid

3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid (PubChem CID 162232127) has the molecular formula C128H147FN12O18 and a molecular weight of 2160.65 g/mol. Its IUPAC name is 3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
PubChem CID162232127
Molecular FormulaC128H147FN12O18
Molecular Weight2160.65 g/mol
Exact Mass2159.09
IUPAC Name3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
SMILESCCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(C)c1-c1ncc(C)cc1F.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cn2)C3)cc(OCC)c1-c1ccc(C)cc1.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)nc2)C3)cc(OCC)c1-c1ccc(C)cc1.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2cccc(C(N)=O)c2)C3)cc(OCC)c1-c1ccc(C)cc1
InChIInChI=1S/C33H39N3O4.2C32H37N3O5.C31H34FN3O4/c1-4-39-28-17-24(18-29(40-5-2)31(28)25-11-9-23(3)10-12-25)21-35-15-13-33(14-16-35)20-30(37)36(22-33)27-8-6-7-26(19-27)32(34)38;1-4-39-26-16-23(17-27(40-5-2)30(26)24-8-6-22(3)7-9-24)20-34-14-12-32(13-15-34)18-29(36)35(21-32)28-11-10-25(19-33-28)31(37)38;1-4-39-27-16-23(17-28(40-5-2)30(27)24-8-6-22(3)7-9-24)20-34-14-12-32(13-15-34)18-29(36)35(21-32)25-10-11-26(31(37)38)33-19-25;1-4-39-26-15-22(14-21(3)28(26)29-25(32)13-20(2)17-33-29)18-34-11-9-31(10-12-34)16-27(36)35(19-31)24-7-5-23(6-8-24)30(37)38/h6-12,17-19H,4-5,13-16,20-22H2,1-3H3,(H2,34,38);2*6-11,16-17,19H,4-5,12-15,18,20-21H2,1-3H3,(H,37,38);5-8,13-15,17H,4,9-12,16,18-19H2,1-3H3,(H,37,38)
InChIKeyZVOLILRAKFOBCY-UHFFFAOYSA-N
XLogP22.34
TPSA352.47 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds34
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002160.65
LogP ≤ 522.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid?
The IUPAC name of 3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid (CID 162232127) is 3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid.
What is the SMILES notation for 3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid?
The canonical SMILES for 3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid is CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cc2)C3)cc(C)c1-c1ncc(C)cc1F.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)cn2)C3)cc(OCC)c1-c1ccc(C)cc1.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2ccc(C(=O)O)nc2)C3)cc(OCC)c1-c1ccc(C)cc1.CCOc1cc(CN2CCC3(CC2)CC(=O)N(c2cccc(C(N)=O)c2)C3)cc(OCC)c1-c1ccc(C)cc1.
What is the InChIKey of 3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid?
The InChIKey is ZVOLILRAKFOBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N3O4.2C32H37N3O5.C31H34FN3O4/c1-4-39-28-17-24(18-29(40-5-2)31(28)25-11-9-23(3)10-12-25)21-35-15-13-33(14-16-35)20-30(37)36(22-33)27-8-6-7-26(19-27)32(34)38;1-4-39-26-16-23(17-27(40-5-2)30(26)24-8-6-22(3)7-9-24)20-34-14-12-32(13-15-34)18-29(36)35(21-32)28-11-10-25(19-33-28)31(37)38;1-4-39-27-16-23(17-28(40-5-2)30(27)24-8-6-22(3)7-9-24)20-34-14-12-32(13-15-34)18-29(36)35(21-32)25-10-11-26(31(37)38)33-19-25;1-4-39-26-15-22(14-21(3)28(26)29-25(32)13-20(2)17-33-29)18-34-11-9-31(10-12-34)16-27(36)35(19-31)24-7-5-23(6-8-24)30(37)38/h6-12,17-19H,4-5,13-16,20-22H2,1-3H3,(H2,34,38);2*6-11,16-17,19H,4-5,12-15,18,20-21H2,1-3H3,(H,37,38);5-8,13-15,17H,4,9-12,16,18-19H2,1-3H3,(H,37,38).
What are the key properties of 3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid?
3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid has a molecular weight of 2160.65 g/mol, XLogP of 22.34, 34 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzamide;5-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-2-carboxylic acid;6-[8-[[3,5-diethoxy-4-(4-methylphenyl)phenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid;4-[8-[[3-ethoxy-4-(3-fluoro-5-methyl-2-pyridinyl)-5-methylphenyl]methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid is sourced from PubChem (CID 162232127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).