methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate

C14H20N2O2 — CID 117241306

IUPACmethyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
SMILESCOC(=O)C(CN1CCCCC1)c1cccnc1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)13(12-6-5-7-15-10-12)11-16-8-3-2-4-9-16/h5-7,10,13H,2-4,8-9,11H2,1H3
InChIKeyHYLTYMTZYUOYJG-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.82
Rot. Bonds4

About methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate

methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate (PubChem CID 117241306) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
PubChem CID117241306
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namemethyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate
SMILESCOC(=O)C(CN1CCCCC1)c1cccnc1
InChIInChI=1S/C14H20N2O2/c1-18-14(17)13(12-6-5-7-15-10-12)11-16-8-3-2-4-9-16/h5-7,10,13H,2-4,8-9,11H2,1H3
InChIKeyHYLTYMTZYUOYJG-UHFFFAOYSA-N
XLogP1.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-amino-2-pyridin-3-ylpropanoate
CID 57242808
methyl 3-(azepan-1-yl)-2-(3-chlorophenyl)propanoate
CID 117243277
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 117245099
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618
methyl 2-(2-bromophenyl)-3-pyrrolidin-1-ylpropanoate
CID 117244222
methyl (2S)-2-hydroxy-2-pyridin-3-ylacetate;hydrochloride
CID 146049161
methyl 3-(2-methylphenoxy)-2-pyridin-3-ylpropanoate
CID 117241320
3-(azocan-1-yl)-N-[(1R)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158462
3-(azocan-1-yl)-N-[(1S)-2-methyl-1-pyridin-3-ylpropyl]propanamide
CID 125158460
methyl 3-oxo-2-pyridin-3-ylbutanoate
CID 54382614
1-piperidin-1-yl-1-pyridin-3-ylpropan-2-one
CID 116860071
2-(4-aminophenyl)-N-methyl-N-(1-pyridin-3-yl-2-pyrrolidin-1-ylethyl)acetamide
CID 70366035

Frequently Asked Questions

What is the IUPAC name of methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate?
The IUPAC name of methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate (CID 117241306) is methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate.
What is the SMILES notation for methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate?
The canonical SMILES for methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate is COC(=O)C(CN1CCCCC1)c1cccnc1.
What is the InChIKey of methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate?
The InChIKey is HYLTYMTZYUOYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-14(17)13(12-6-5-7-15-10-12)11-16-8-3-2-4-9-16/h5-7,10,13H,2-4,8-9,11H2,1H3.
What are the key properties of methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate?
methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate has a molecular weight of 248.33 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-piperidin-1-yl-2-pyridin-3-ylpropanoate is sourced from PubChem (CID 117241306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).