methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate

C19H35NO5 — CID 142057086

IUPACmethyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCOC(C)(C)CCOC(C)(C)C)CC1
InChIInChI=1S/C19H35NO5/c1-18(2,3)24-14-10-19(4,5)25-13-9-16(21)20-11-7-15(8-12-20)17(22)23-6/h15H,7-14H2,1-6H3
InChIKeySFOKWCSMQLEBQB-UHFFFAOYSA-N
MW357.49 g/mol
LogP2.79
Rot. Bonds8

About methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate

methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate (PubChem CID 142057086) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate
PubChem CID142057086
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Namemethyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)CCOC(C)(C)CCOC(C)(C)C)CC1
InChIInChI=1S/C19H35NO5/c1-18(2,3)24-14-10-19(4,5)25-13-9-16(21)20-11-7-15(8-12-20)17(22)23-6/h15H,7-14H2,1-6H3
InChIKeySFOKWCSMQLEBQB-UHFFFAOYSA-N
XLogP2.79
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate (CID 142057086) is methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)CCOC(C)(C)CCOC(C)(C)C)CC1.
What is the InChIKey of methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate?
The InChIKey is SFOKWCSMQLEBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO5/c1-18(2,3)24-14-10-19(4,5)25-13-9-16(21)20-11-7-15(8-12-20)17(22)23-6/h15H,7-14H2,1-6H3.
What are the key properties of methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate?
methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate has a molecular weight of 357.49 g/mol, XLogP of 2.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]oxypropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 142057086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).