10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid

C23H37NO4S — CID 150779656

IUPAC10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)O)CC(C)(C)N1c1cccs1
InChIInChI=1S/C23H37NO4S/c1-22(2)16-18(17-23(3,4)24(22)19-12-11-15-29-19)28-21(27)14-10-8-6-5-7-9-13-20(25)26/h11-12,15,18H,5-10,13-14,16-17H2,1-4H3,(H,25,26)
InChIKeyKBPIFHJILLWDMH-UHFFFAOYSA-N
MW423.62 g/mol
LogP6.02
Rot. Bonds11

About 10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid

10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid (PubChem CID 150779656) has the molecular formula C23H37NO4S and a molecular weight of 423.62 g/mol. Its IUPAC name is 10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid.

Molecular Properties

Compound Name10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid
PubChem CID150779656
Molecular FormulaC23H37NO4S
Molecular Weight423.62 g/mol
Exact Mass423.24
IUPAC Name10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid
SMILESCC1(C)CC(OC(=O)CCCCCCCCC(=O)O)CC(C)(C)N1c1cccs1
InChIInChI=1S/C23H37NO4S/c1-22(2)16-18(17-23(3,4)24(22)19-12-11-15-29-19)28-21(27)14-10-8-6-5-7-9-13-20(25)26/h11-12,15,18H,5-10,13-14,16-17H2,1-4H3,(H,25,26)
InChIKeyKBPIFHJILLWDMH-UHFFFAOYSA-N
XLogP6.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.62
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
CID 101128218
CID 101128218
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158
phenyl 2,2,6,6-tetramethyl-4-[9-oxo-9-[9-oxo-9-(2,2,6,6-tetramethyl-1-phenoxycarbonylpiperidin-4-yl)oxynonanoyl]peroxynonanoyl]oxypiperidine-1-carboxylate
CID 23052589
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;decanedioic acid
CID 159079251
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 15019922
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
4-[1-(2-dodecanoyloxy-1-phenylethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid
CID 139948137

Frequently Asked Questions

What is the IUPAC name of 10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid?
The IUPAC name of 10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid (CID 150779656) is 10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid.
What is the SMILES notation for 10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid?
The canonical SMILES for 10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid is CC1(C)CC(OC(=O)CCCCCCCCC(=O)O)CC(C)(C)N1c1cccs1.
What is the InChIKey of 10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid?
The InChIKey is KBPIFHJILLWDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO4S/c1-22(2)16-18(17-23(3,4)24(22)19-12-11-15-29-19)28-21(27)14-10-8-6-5-7-9-13-20(25)26/h11-12,15,18H,5-10,13-14,16-17H2,1-4H3,(H,25,26).
What are the key properties of 10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid?
10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid has a molecular weight of 423.62 g/mol, XLogP of 6.02, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-10-(2,2,6,6-tetramethyl-1-thiophen-2-ylpiperidin-4-yl)oxydecanoic acid is sourced from PubChem (CID 150779656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).