methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate

C19H33NO5 — CID 11121809

IUPACmethyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate
SMILESCCCC(=O)C[C@@H]1CCC[C@H](C[C@H](CCC)OC(C)=O)N1C(=O)OC
InChIInChI=1S/C19H33NO5/c1-5-8-17(22)12-15-10-7-11-16(20(15)19(23)24-4)13-18(9-6-2)25-14(3)21/h15-16,18H,5-13H2,1-4H3/t15-,16+,18-/m0/s1
InChIKeyJVJOSEUHZMDGIH-JZXOWHBKSA-N
MW355.48 g/mol
LogP3.86
Rot. Bonds9

About methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate

methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate (PubChem CID 11121809) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate
PubChem CID11121809
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Namemethyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate
SMILESCCCC(=O)C[C@@H]1CCC[C@H](C[C@H](CCC)OC(C)=O)N1C(=O)OC
InChIInChI=1S/C19H33NO5/c1-5-8-17(22)12-15-10-7-11-16(20(15)19(23)24-4)13-18(9-6-2)25-14(3)21/h15-16,18H,5-13H2,1-4H3/t15-,16+,18-/m0/s1
InChIKeyJVJOSEUHZMDGIH-JZXOWHBKSA-N
XLogP3.86
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate?
The IUPAC name of methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate (CID 11121809) is methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate?
The canonical SMILES for methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate is CCCC(=O)C[C@@H]1CCC[C@H](C[C@H](CCC)OC(C)=O)N1C(=O)OC.
What is the InChIKey of methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate?
The InChIKey is JVJOSEUHZMDGIH-JZXOWHBKSA-N. The full InChI is InChI=1S/C19H33NO5/c1-5-8-17(22)12-15-10-7-11-16(20(15)19(23)24-4)13-18(9-6-2)25-14(3)21/h15-16,18H,5-13H2,1-4H3/t15-,16+,18-/m0/s1.
What are the key properties of methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate?
methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate has a molecular weight of 355.48 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,6S)-2-[(2S)-2-acetyloxypentyl]-6-(2-oxopentyl)piperidine-1-carboxylate is sourced from PubChem (CID 11121809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).