methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate

C16H25N3O3 — CID 71926633

IUPACmethyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate
SMILESCOCCN1CCC(CNc2ccnc(C(=O)OC)c2)CC1
InChIInChI=1S/C16H25N3O3/c1-21-10-9-19-7-4-13(5-8-19)12-18-14-3-6-17-15(11-14)16(20)22-2/h3,6,11,13H,4-5,7-10,12H2,1-2H3,(H,17,18)
InChIKeyXKMHSCRGFOVEJY-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.64
Rot. Bonds7

About methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate

methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate (PubChem CID 71926633) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate
PubChem CID71926633
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Namemethyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate
SMILESCOCCN1CCC(CNc2ccnc(C(=O)OC)c2)CC1
InChIInChI=1S/C16H25N3O3/c1-21-10-9-19-7-4-13(5-8-19)12-18-14-3-6-17-15(11-14)16(20)22-2/h3,6,11,13H,4-5,7-10,12H2,1-2H3,(H,17,18)
InChIKeyXKMHSCRGFOVEJY-UHFFFAOYSA-N
XLogP1.64
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate (CID 71926633) is methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate is COCCN1CCC(CNc2ccnc(C(=O)OC)c2)CC1.
What is the InChIKey of methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate?
The InChIKey is XKMHSCRGFOVEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-21-10-9-19-7-4-13(5-8-19)12-18-14-3-6-17-15(11-14)16(20)22-2/h3,6,11,13H,4-5,7-10,12H2,1-2H3,(H,17,18).
What are the key properties of methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate?
methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 71926633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).