ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate

C16H22N4O3 — CID 71873788

IUPACethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cn2c(=O)n(C)c3ccncc32)CC1
InChIInChI=1S/C16H22N4O3/c1-3-23-15(21)12-5-8-19(9-6-12)11-20-14-10-17-7-4-13(14)18(2)16(20)22/h4,7,10,12H,3,5-6,8-9,11H2,1-2H3
InChIKeyYQVFVVLNAXCDGN-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.97
Rot. Bonds4

About ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate (PubChem CID 71873788) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate
PubChem CID71873788
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nameethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cn2c(=O)n(C)c3ccncc32)CC1
InChIInChI=1S/C16H22N4O3/c1-3-23-15(21)12-5-8-19(9-6-12)11-20-14-10-17-7-4-13(14)18(2)16(20)22/h4,7,10,12H,3,5-6,8-9,11H2,1-2H3
InChIKeyYQVFVVLNAXCDGN-UHFFFAOYSA-N
XLogP0.97
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate (CID 71873788) is ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cn2c(=O)n(C)c3ccncc32)CC1.
What is the InChIKey of ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate?
The InChIKey is YQVFVVLNAXCDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-3-23-15(21)12-5-8-19(9-6-12)11-20-14-10-17-7-4-13(14)18(2)16(20)22/h4,7,10,12H,3,5-6,8-9,11H2,1-2H3.
What are the key properties of ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-methyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 71873788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).