methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate

C14H19N3O3 — CID 107337953

IUPACmethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C14H19N3O3/c1-20-14(19)12-4-2-3-7-17(12)13(18)8-11-6-5-10(15)9-16-11/h5-6,9,12H,2-4,7-8,15H2,1H3
InChIKeyGHCCFYKTAANXJW-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.76
Rot. Bonds3

About methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate

methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate (PubChem CID 107337953) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate
PubChem CID107337953
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)Cc1ccc(N)cn1
InChIInChI=1S/C14H19N3O3/c1-20-14(19)12-4-2-3-7-17(12)13(18)8-11-6-5-10(15)9-16-11/h5-6,9,12H,2-4,7-8,15H2,1H3
InChIKeyGHCCFYKTAANXJW-UHFFFAOYSA-N
XLogP0.76
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2R)-1-[2-(5-bromo-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 166391031
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
1-[2-(5-amino-2-pyridinyl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 120622960
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107339471
methyl (2R)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidine-2-carboxylate
CID 79833335
2-(5-amino-2-pyridinyl)-1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethanone;dihydrochloride
CID 120647136
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
CID 107337538
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(5-amino-2-pyridinyl)ethanone
CID 107338538
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
methyl 1-[(E)-3-(4-aminophenyl)prop-2-enoyl]piperidine-2-carboxylate
CID 115343233
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486
methyl 1-[2-(2-aminophenoxy)acetyl]piperidine-2-carboxylate
CID 61106803

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate (CID 107337953) is methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)Cc1ccc(N)cn1.
What is the InChIKey of methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate?
The InChIKey is GHCCFYKTAANXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-14(19)12-4-2-3-7-17(12)13(18)8-11-6-5-10(15)9-16-11/h5-6,9,12H,2-4,7-8,15H2,1H3.
What are the key properties of methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate?
methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate is sourced from PubChem (CID 107337953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).