methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate

C16H23NO10 — CID 101352051

IUPACmethyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C[C@H]1COC(C)=O
InChIInChI=1S/C16H23NO10/c1-8(18)24-7-12-6-13(25-9(2)19)14(26-10(3)20)15(27-11(4)21)17(12)16(22)23-5/h12-15H,6-7H2,1-5H3/t12-,13?,14?,15?/m0/s1
InChIKeyRNAXPPIMFHQERJ-NAOUJUTFSA-N
MW389.36 g/mol
LogP0.14
Rot. Bonds5

About methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate

methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate (PubChem CID 101352051) has the molecular formula C16H23NO10 and a molecular weight of 389.36 g/mol. Its IUPAC name is methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate
PubChem CID101352051
Molecular FormulaC16H23NO10
Molecular Weight389.36 g/mol
Exact Mass389.13
IUPAC Namemethyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C[C@H]1COC(C)=O
InChIInChI=1S/C16H23NO10/c1-8(18)24-7-12-6-13(25-9(2)19)14(26-10(3)20)15(27-11(4)21)17(12)16(22)23-5/h12-15H,6-7H2,1-5H3/t12-,13?,14?,15?/m0/s1
InChIKeyRNAXPPIMFHQERJ-NAOUJUTFSA-N
XLogP0.14
TPSA134.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.36
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

dimethyl (2S)-5,6-diacetyloxypiperidine-1,2-dicarboxylate
CID 11130914
[(1R,2R,3S,4S)-2,3,4,5-tetraacetyloxycyclohexyl]methyl acetate
CID 153447573
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 11012146
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
[(4S,5R,6R)-4,5,6-triacetyloxyoxan-2-yl]methyl acetate
CID 170261667
[(2S,3R,4S,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 124546051
[4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 550322
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-methyloxan-2-yl]methyl acetate
CID 134202816
[(3S,4S,6R)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903122
[(3S,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 71090759
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903120
[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 14078932

Frequently Asked Questions

What is the IUPAC name of methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate?
The IUPAC name of methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate (CID 101352051) is methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate is COC(=O)N1C(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C[C@H]1COC(C)=O.
What is the InChIKey of methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate?
The InChIKey is RNAXPPIMFHQERJ-NAOUJUTFSA-N. The full InChI is InChI=1S/C16H23NO10/c1-8(18)24-7-12-6-13(25-9(2)19)14(26-10(3)20)15(27-11(4)21)17(12)16(22)23-5/h12-15H,6-7H2,1-5H3/t12-,13?,14?,15?/m0/s1.
What are the key properties of methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate?
methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate has a molecular weight of 389.36 g/mol, XLogP of 0.14, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6S)-2,3,4-triacetyloxy-6-(acetyloxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 101352051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).