methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate

C10H17NO5 — CID 112617528

IUPACmethyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C10H17NO5/c1-15-10(14)9(13)11-4-2-8(3-5-11)16-7-6-12/h8,12H,2-7H2,1H3
InChIKeyFDAKSUSCVDWTAP-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.84
Rot. Bonds3

About methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate

methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate (PubChem CID 112617528) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate
PubChem CID112617528
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namemethyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)N1CCC(OCCO)CC1
InChIInChI=1S/C10H17NO5/c1-15-10(14)9(13)11-4-2-8(3-5-11)16-7-6-12/h8,12H,2-7H2,1H3
InChIKeyFDAKSUSCVDWTAP-UHFFFAOYSA-N
XLogP-0.84
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate?
The IUPAC name of methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate (CID 112617528) is methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate?
The canonical SMILES for methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate is COC(=O)C(=O)N1CCC(OCCO)CC1.
What is the InChIKey of methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate?
The InChIKey is FDAKSUSCVDWTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-15-10(14)9(13)11-4-2-8(3-5-11)16-7-6-12/h8,12H,2-7H2,1H3.
What are the key properties of methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate?
methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate has a molecular weight of 231.25 g/mol, XLogP of -0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 112617528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).