methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate

C15H27NO4 — CID 101061873

IUPACmethyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate
SMILESCCCCC[C@H]1CCC[C@H](CC(=O)OC)N1C(=O)OC
InChIInChI=1S/C15H27NO4/c1-4-5-6-8-12-9-7-10-13(11-14(17)19-2)16(12)15(18)20-3/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyNJBGBMVFOGBNLE-QWHCGFSZSA-N
MW285.38 g/mol
LogP3.12
Rot. Bonds6

About methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate

methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate (PubChem CID 101061873) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate
PubChem CID101061873
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Namemethyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate
SMILESCCCCC[C@H]1CCC[C@H](CC(=O)OC)N1C(=O)OC
InChIInChI=1S/C15H27NO4/c1-4-5-6-8-12-9-7-10-13(11-14(17)19-2)16(12)15(18)20-3/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyNJBGBMVFOGBNLE-QWHCGFSZSA-N
XLogP3.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(1S,2S)-2-pentylcyclopentyl]acetate
CID 68845600
methyl (2S,6S)-2-formyl-6-propylpiperidine-1-carboxylate
CID 10727314
methyl 2-dodecylpyrrolidine-1-carboxylate
CID 175232905
dimethyl 6-propylpiperidine-1,2-dicarboxylate
CID 71338696
methyl (2S,6S)-2-methyl-6-(2-oxopropyl)piperidine-1-carboxylate
CID 134856290
ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 23251970
tert-butyl (2R,5R)-2-ethyl-5-heptylpyrrolidine-1-carboxylate
CID 10902578
dimethyl (2S,5S)-5-propylpyrrolidine-1,2-dicarboxylate
CID 14523837
methyl (2S,6S)-2-(hydroxymethyl)-6-[2-(methoxymethoxy)ethyl]piperidine-1-carboxylate
CID 10422764
methyl 2-[(1R,2S,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 11872416
methyl 2-[(1R,2R,3S)-3-hydroxy-2-pentylcyclopentyl]acetate
CID 7001548
methyl 4-(6-heptadecyloxan-2-yl)butanoate
CID 543638

Frequently Asked Questions

What is the IUPAC name of methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate?
The IUPAC name of methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate (CID 101061873) is methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate?
The canonical SMILES for methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate is CCCCC[C@H]1CCC[C@H](CC(=O)OC)N1C(=O)OC.
What is the InChIKey of methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate?
The InChIKey is NJBGBMVFOGBNLE-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H27NO4/c1-4-5-6-8-12-9-7-10-13(11-14(17)19-2)16(12)15(18)20-3/h12-13H,4-11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate?
methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate has a molecular weight of 285.38 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6S)-2-(2-methoxy-2-oxoethyl)-6-pentylpiperidine-1-carboxylate is sourced from PubChem (CID 101061873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).