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

C11H20N2O3 — CID 49438939

IUPACmethyl 3-(4-acetamidopiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1CCC(NC(C)=O)CC1
InChIInChI=1S/C11H20N2O3/c1-9(14)12-10-3-6-13(7-4-10)8-5-11(15)16-2/h10H,3-8H2,1-2H3,(H,12,14)
InChIKeyUKIKSJGEBMJYLC-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.15
Rot. Bonds4

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

methyl 3-(4-acetamidopiperidin-1-yl)propanoate (PubChem CID 49438939) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 3-(4-acetamidopiperidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-acetamidopiperidin-1-yl)propanoate
PubChem CID49438939
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 3-(4-acetamidopiperidin-1-yl)propanoate
SMILESCOC(=O)CCN1CCC(NC(C)=O)CC1
InChIInChI=1S/C11H20N2O3/c1-9(14)12-10-3-6-13(7-4-10)8-5-11(15)16-2/h10H,3-8H2,1-2H3,(H,12,14)
InChIKeyUKIKSJGEBMJYLC-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-acetamidopiperidin-1-yl)propanoate?
The IUPAC name of methyl 3-(4-acetamidopiperidin-1-yl)propanoate (CID 49438939) is methyl 3-(4-acetamidopiperidin-1-yl)propanoate.
What is the SMILES notation for methyl 3-(4-acetamidopiperidin-1-yl)propanoate?
The canonical SMILES for methyl 3-(4-acetamidopiperidin-1-yl)propanoate is COC(=O)CCN1CCC(NC(C)=O)CC1.
What is the InChIKey of methyl 3-(4-acetamidopiperidin-1-yl)propanoate?
The InChIKey is UKIKSJGEBMJYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(14)12-10-3-6-13(7-4-10)8-5-11(15)16-2/h10H,3-8H2,1-2H3,(H,12,14).
What are the key properties of methyl 3-(4-acetamidopiperidin-1-yl)propanoate?
methyl 3-(4-acetamidopiperidin-1-yl)propanoate has a molecular weight of 228.29 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-acetamidopiperidin-1-yl)propanoate is sourced from PubChem (CID 49438939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).