methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate

C16H23N3O3 — CID 112533443

IUPACmethyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(CNC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C16H23N3O3/c1-22-16(21)13-5-7-17-14(11-13)12-18-15(20)6-10-19-8-3-2-4-9-19/h5,7,11H,2-4,6,8-10,12H2,1H3,(H,18,20)
InChIKeyVXOBZOUCUFXVGJ-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.36
Rot. Bonds6

About methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate

methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate (PubChem CID 112533443) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate
PubChem CID112533443
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namemethyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(CNC(=O)CCN2CCCCC2)c1
InChIInChI=1S/C16H23N3O3/c1-22-16(21)13-5-7-17-14(11-13)12-18-15(20)6-10-19-8-3-2-4-9-19/h5,7,11H,2-4,6,8-10,12H2,1H3,(H,18,20)
InChIKeyVXOBZOUCUFXVGJ-UHFFFAOYSA-N
XLogP1.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate (CID 112533443) is methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate is COC(=O)c1ccnc(CNC(=O)CCN2CCCCC2)c1.
What is the InChIKey of methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate?
The InChIKey is VXOBZOUCUFXVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-16(21)13-5-7-17-14(11-13)12-18-15(20)6-10-19-8-3-2-4-9-19/h5,7,11H,2-4,6,8-10,12H2,1H3,(H,18,20).
What are the key properties of methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate?
methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-piperidin-1-ylpropanoylamino)methyl]pyridine-4-carboxylate is sourced from PubChem (CID 112533443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).