(5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate

C23H39NO7 — CID 143131352

IUPAC(5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
SMILESCCCC(O)CCC(C)COC(=O)C1CCCCN1C(=O)C(=O)C1(O)OCCCC1C
InChIInChI=1S/C23H39NO7/c1-4-8-18(25)12-11-16(2)15-30-22(28)19-10-5-6-13-24(19)21(27)20(26)23(29)17(3)9-7-14-31-23/h16-19,25,29H,4-15H2,1-3H3
InChIKeyUFMBNMCPIKCIKH-UHFFFAOYSA-N
MW441.57 g/mol
LogP2.19
Rot. Bonds10

About (5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate

(5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate (PubChem CID 143131352) has the molecular formula C23H39NO7 and a molecular weight of 441.57 g/mol. Its IUPAC name is (5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Name(5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
PubChem CID143131352
Molecular FormulaC23H39NO7
Molecular Weight441.57 g/mol
Exact Mass441.27
IUPAC Name(5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
SMILESCCCC(O)CCC(C)COC(=O)C1CCCCN1C(=O)C(=O)C1(O)OCCCC1C
InChIInChI=1S/C23H39NO7/c1-4-8-18(25)12-11-16(2)15-30-22(28)19-10-5-6-13-24(19)21(27)20(26)23(29)17(3)9-7-14-31-23/h16-19,25,29H,4-15H2,1-3H3
InChIKeyUFMBNMCPIKCIKH-UHFFFAOYSA-N
XLogP2.19
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.57
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate with MolForge

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Related Compounds

2-methylpropyl 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
CID 143457765
ethyl 1-[2-[(2R,3R)-2-hydroxy-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylate
CID 143725740
ethyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 78917554
[(E)-6-hydroxy-3,5-dimethylhept-3-en-2-yl] 1-[2-(2-hydroxy-3-methyl-6-propan-2-yloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
CID 145119133
butyl (2S)-1-(2-methylpropanoyl)piperidine-2-carboxylate
CID 54008050
1-(2-hydroxy-3-methyloxan-2-yl)-2-[3-(hydroxymethyl)piperidin-1-yl]ethane-1,2-dione
CID 123723021
(7E,10R,15E,17E,19E)-9-hydroxy-10-methoxy-1-(3-methoxycyclohexyl)-2,8,12,20-tetramethyldocosa-7,15,17,19-tetraene-5,11-dione;1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylic acid
CID 143004313
propyl 1-(2-oxopropanoyl)pyrrolidine-2-carboxylate
CID 20709685
methyl (2R)-1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 79832824
methyl 1-(2-methylpentanoyl)piperidine-2-carboxylate
CID 115280159
[(E)-7-hydroxy-2,4,6-trimethyloct-4-en-3-yl] 1-[2-(2-hydroxy-3-methyl-6-propan-2-yloxan-2-yl)-2-oxoacetyl]pyrrolidine-2-carboxylate
CID 146233455
[4-(3,4-dihydroxycyclohexyl)-3-methylbutan-2-yl] 1-[2-(2-hydroxy-3-methyl-6-propan-2-yloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate
CID 163880072

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate?
The IUPAC name of (5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate (CID 143131352) is (5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate.
What is the SMILES notation for (5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate?
The canonical SMILES for (5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate is CCCC(O)CCC(C)COC(=O)C1CCCCN1C(=O)C(=O)C1(O)OCCCC1C.
What is the InChIKey of (5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate?
The InChIKey is UFMBNMCPIKCIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO7/c1-4-8-18(25)12-11-16(2)15-30-22(28)19-10-5-6-13-24(19)21(27)20(26)23(29)17(3)9-7-14-31-23/h16-19,25,29H,4-15H2,1-3H3.
What are the key properties of (5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate?
(5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate has a molecular weight of 441.57 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-2-methyloctyl) 1-[2-(2-hydroxy-3-methyloxan-2-yl)-2-oxoacetyl]piperidine-2-carboxylate is sourced from PubChem (CID 143131352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).