ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate

C18H27N3O5 — CID 18566888

IUPACethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCC1
InChIInChI=1S/C18H27N3O5/c1-3-26-18(24)10-19-17(23)13-21-12-16(25-2)15(22)9-14(21)11-20-7-5-4-6-8-20/h9,12H,3-8,10-11,13H2,1-2H3,(H,19,23)
InChIKeyCCGPZNXJZQLQEQ-UHFFFAOYSA-N
MW365.43 g/mol
LogP0.52
Rot. Bonds8

About ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate

ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate (PubChem CID 18566888) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate
PubChem CID18566888
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Nameethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCC1
InChIInChI=1S/C18H27N3O5/c1-3-26-18(24)10-19-17(23)13-21-12-16(25-2)15(22)9-14(21)11-20-7-5-4-6-8-20/h9,12H,3-8,10-11,13H2,1-2H3,(H,19,23)
InChIKeyCCGPZNXJZQLQEQ-UHFFFAOYSA-N
XLogP0.52
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate (CID 18566888) is ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1cc(OC)c(=O)cc1CN1CCCCC1.
What is the InChIKey of ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate?
The InChIKey is CCGPZNXJZQLQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-3-26-18(24)10-19-17(23)13-21-12-16(25-2)15(22)9-14(21)11-20-7-5-4-6-8-20/h9,12H,3-8,10-11,13H2,1-2H3,(H,19,23).
What are the key properties of ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate?
ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate has a molecular weight of 365.43 g/mol, XLogP of 0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]acetyl]amino]acetate is sourced from PubChem (CID 18566888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).