methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate

C13H21NO4 — CID 61279313

IUPACmethyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C1CCOC1
InChIInChI=1S/C13H21NO4/c1-17-12(15)8-11-4-2-3-6-14(11)13(16)10-5-7-18-9-10/h10-11H,2-9H2,1H3
InChIKeyAGXAYCLDKLAPON-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.97
Rot. Bonds3

About methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate

methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate (PubChem CID 61279313) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate
PubChem CID61279313
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Namemethyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C1CCOC1
InChIInChI=1S/C13H21NO4/c1-17-12(15)8-11-4-2-3-6-14(11)13(16)10-5-7-18-9-10/h10-11H,2-9H2,1H3
InChIKeyAGXAYCLDKLAPON-UHFFFAOYSA-N
XLogP0.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate (CID 61279313) is methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)C1CCOC1.
What is the InChIKey of methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate?
The InChIKey is AGXAYCLDKLAPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-17-12(15)8-11-4-2-3-6-14(11)13(16)10-5-7-18-9-10/h10-11H,2-9H2,1H3.
What are the key properties of methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate?
methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate has a molecular weight of 255.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(oxolane-3-carbonyl)piperidin-2-yl]acetate is sourced from PubChem (CID 61279313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).