methyl 3-(1-acetylpiperidin-4-yl)propanoate

C11H19NO3 — CID 20569898

IUPACmethyl 3-(1-acetylpiperidin-4-yl)propanoate
SMILESCOC(=O)CCC1CCN(C(C)=O)CC1
InChIInChI=1S/C11H19NO3/c1-9(13)12-7-5-10(6-8-12)3-4-11(14)15-2/h10H,3-8H2,1-2H3
InChIKeyRSQXZFZJSOMYPR-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.20
Rot. Bonds3

About methyl 3-(1-acetylpiperidin-4-yl)propanoate

methyl 3-(1-acetylpiperidin-4-yl)propanoate (PubChem CID 20569898) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 3-(1-acetylpiperidin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(1-acetylpiperidin-4-yl)propanoate
PubChem CID20569898
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 3-(1-acetylpiperidin-4-yl)propanoate
SMILESCOC(=O)CCC1CCN(C(C)=O)CC1
InChIInChI=1S/C11H19NO3/c1-9(13)12-7-5-10(6-8-12)3-4-11(14)15-2/h10H,3-8H2,1-2H3
InChIKeyRSQXZFZJSOMYPR-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-acetylpiperidin-4-yl)propanoate?
The IUPAC name of methyl 3-(1-acetylpiperidin-4-yl)propanoate (CID 20569898) is methyl 3-(1-acetylpiperidin-4-yl)propanoate.
What is the SMILES notation for methyl 3-(1-acetylpiperidin-4-yl)propanoate?
The canonical SMILES for methyl 3-(1-acetylpiperidin-4-yl)propanoate is COC(=O)CCC1CCN(C(C)=O)CC1.
What is the InChIKey of methyl 3-(1-acetylpiperidin-4-yl)propanoate?
The InChIKey is RSQXZFZJSOMYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-9(13)12-7-5-10(6-8-12)3-4-11(14)15-2/h10H,3-8H2,1-2H3.
What are the key properties of methyl 3-(1-acetylpiperidin-4-yl)propanoate?
methyl 3-(1-acetylpiperidin-4-yl)propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-acetylpiperidin-4-yl)propanoate is sourced from PubChem (CID 20569898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).