methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate

C16H27NO4 — CID 65160149

IUPACmethyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C16H27NO4/c1-10-11(2)21-12(3)15(10)16(19)17-8-6-5-7-13(17)9-14(18)20-4/h10-13,15H,5-9H2,1-4H3
InChIKeyOFRAONOELOTPTB-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.99
Rot. Bonds3

About methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate (PubChem CID 65160149) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate
PubChem CID65160149
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Namemethyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C1C(C)OC(C)C1C
InChIInChI=1S/C16H27NO4/c1-10-11(2)21-12(3)15(10)16(19)17-8-6-5-7-13(17)9-14(18)20-4/h10-13,15H,5-9H2,1-4H3
InChIKeyOFRAONOELOTPTB-UHFFFAOYSA-N
XLogP1.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate (CID 65160149) is methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)C1C(C)OC(C)C1C.
What is the InChIKey of methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate?
The InChIKey is OFRAONOELOTPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-10-11(2)21-12(3)15(10)16(19)17-8-6-5-7-13(17)9-14(18)20-4/h10-13,15H,5-9H2,1-4H3.
What are the key properties of methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate has a molecular weight of 297.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,4,5-trimethyloxolane-3-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 65160149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).