ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate

C19H29N3O5 — CID 27646389

IUPACethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1cc(OC)c(=O)cc1CN1CCC(C)CC1
InChIInChI=1S/C19H29N3O5/c1-4-27-19(25)10-20-18(24)13-22-12-17(26-3)16(23)9-15(22)11-21-7-5-14(2)6-8-21/h9,12,14H,4-8,10-11,13H2,1-3H3,(H,20,24)
InChIKeyUHDQQWKREPBQLS-UHFFFAOYSA-N
MW379.46 g/mol
LogP0.77
Rot. Bonds8

About ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate

ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate (PubChem CID 27646389) has the molecular formula C19H29N3O5 and a molecular weight of 379.46 g/mol. Its IUPAC name is ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate
PubChem CID27646389
Molecular FormulaC19H29N3O5
Molecular Weight379.46 g/mol
Exact Mass379.21
IUPAC Nameethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1cc(OC)c(=O)cc1CN1CCC(C)CC1
InChIInChI=1S/C19H29N3O5/c1-4-27-19(25)10-20-18(24)13-22-12-17(26-3)16(23)9-15(22)11-21-7-5-14(2)6-8-21/h9,12,14H,4-8,10-11,13H2,1-3H3,(H,20,24)
InChIKeyUHDQQWKREPBQLS-UHFFFAOYSA-N
XLogP0.77
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 50.77
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-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate (CID 27646389) is ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1cc(OC)c(=O)cc1CN1CCC(C)CC1.
What is the InChIKey of ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate?
The InChIKey is UHDQQWKREPBQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O5/c1-4-27-19(25)10-20-18(24)13-22-12-17(26-3)16(23)9-15(22)11-21-7-5-14(2)6-8-21/h9,12,14H,4-8,10-11,13H2,1-3H3,(H,20,24).
What are the key properties of ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate?
ethyl 2-[[2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate has a molecular weight of 379.46 g/mol, XLogP of 0.77, 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-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetyl]amino]acetate is sourced from PubChem (CID 27646389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).