methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate

C19H35NO3 — CID 13295718

IUPACmethyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate
SMILESCCCCCCCC(=O)CCCC1CCCC(C)N1C(=O)OC
InChIInChI=1S/C19H35NO3/c1-4-5-6-7-8-14-18(21)15-10-13-17-12-9-11-16(2)20(17)19(22)23-3/h16-17H,4-15H2,1-3H3
InChIKeyIHVPVGRBHXVRHH-UHFFFAOYSA-N
MW325.49 g/mol
LogP5.10
Rot. Bonds10

About methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate

methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate (PubChem CID 13295718) has the molecular formula C19H35NO3 and a molecular weight of 325.49 g/mol. Its IUPAC name is methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate
PubChem CID13295718
Molecular FormulaC19H35NO3
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Namemethyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate
SMILESCCCCCCCC(=O)CCCC1CCCC(C)N1C(=O)OC
InChIInChI=1S/C19H35NO3/c1-4-5-6-7-8-14-18(21)15-10-13-17-12-9-11-16(2)20(17)19(22)23-3/h16-17H,4-15H2,1-3H3
InChIKeyIHVPVGRBHXVRHH-UHFFFAOYSA-N
XLogP5.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.49
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate?
The IUPAC name of methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate (CID 13295718) is methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate is CCCCCCCC(=O)CCCC1CCCC(C)N1C(=O)OC.
What is the InChIKey of methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate?
The InChIKey is IHVPVGRBHXVRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO3/c1-4-5-6-7-8-14-18(21)15-10-13-17-12-9-11-16(2)20(17)19(22)23-3/h16-17H,4-15H2,1-3H3.
What are the key properties of methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate?
methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate has a molecular weight of 325.49 g/mol, XLogP of 5.10, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-(4-oxoundecyl)piperidine-1-carboxylate is sourced from PubChem (CID 13295718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).