ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate

C11H20N2O4 — CID 119706107

IUPACethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1(OC)CCNCC1
InChIInChI=1S/C11H20N2O4/c1-3-17-9(14)8-13-10(15)11(16-2)4-6-12-7-5-11/h12H,3-8H2,1-2H3,(H,13,15)
InChIKeyYWASVFQJAHTBBQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.57
Rot. Bonds5

About ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate

ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate (PubChem CID 119706107) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate
PubChem CID119706107
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nameethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1(OC)CCNCC1
InChIInChI=1S/C11H20N2O4/c1-3-17-9(14)8-13-10(15)11(16-2)4-6-12-7-5-11/h12H,3-8H2,1-2H3,(H,13,15)
InChIKeyYWASVFQJAHTBBQ-UHFFFAOYSA-N
XLogP-0.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate (CID 119706107) is ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate is CCOC(=O)CNC(=O)C1(OC)CCNCC1.
What is the InChIKey of ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate?
The InChIKey is YWASVFQJAHTBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-17-9(14)8-13-10(15)11(16-2)4-6-12-7-5-11/h12H,3-8H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate?
ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate has a molecular weight of 244.29 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate is sourced from PubChem (CID 119706107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).