methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate

C14H21N3O2 — CID 66287511

IUPACmethyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCCC2CCCNC2)ccn1
InChIInChI=1S/C14H21N3O2/c1-19-14(18)13-9-12(5-8-17-13)16-7-4-11-3-2-6-15-10-11/h5,8-9,11,15H,2-4,6-7,10H2,1H3,(H,16,17)
InChIKeyRGSVPISKLZDKIY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.67
Rot. Bonds5

About methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate

methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate (PubChem CID 66287511) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate
PubChem CID66287511
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCCC2CCCNC2)ccn1
InChIInChI=1S/C14H21N3O2/c1-19-14(18)13-9-12(5-8-17-13)16-7-4-11-3-2-6-15-10-11/h5,8-9,11,15H,2-4,6-7,10H2,1H3,(H,16,17)
InChIKeyRGSVPISKLZDKIY-UHFFFAOYSA-N
XLogP1.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
CID 66285903
methyl 4-[ethyl(piperidin-3-ylmethyl)amino]pyridine-2-carboxylate
CID 106643376
methyl 4-[2-(cycloheptylamino)ethylamino]pyridine-2-carboxylate
CID 115306769
methyl 4-(piperidin-2-ylmethylamino)pyridine-2-carboxylate
CID 66285496
methyl 2,3-difluoro-4-(2-piperidin-3-ylethylamino)benzoate
CID 79835276
2-methyl-4-(2-piperidin-3-ylethylamino)benzamide
CID 81278418
3-ethyl-4-methoxy-N-(2-piperidin-3-ylethyl)aniline
CID 115211260
methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate
CID 66284702
4-methyl-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 63629904
4-(2-cyclopentylethylamino)pyridine-2-carbothioamide
CID 62926085
methyl 4-(4,4,4-trifluorobutylamino)pyridine-2-carboxylate
CID 79040373
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate (CID 66287511) is methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate is COC(=O)c1cc(NCCC2CCCNC2)ccn1.
What is the InChIKey of methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate?
The InChIKey is RGSVPISKLZDKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-14(18)13-9-12(5-8-17-13)16-7-4-11-3-2-6-15-10-11/h5,8-9,11,15H,2-4,6-7,10H2,1H3,(H,16,17).
What are the key properties of methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate?
methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-piperidin-3-ylethylamino)pyridine-2-carboxylate is sourced from PubChem (CID 66287511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).