[3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone

C15H19N3O2 — CID 102964074

IUPAC[3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2ccncc2C#CCN)C1
InChIInChI=1S/C15H19N3O2/c1-20-13-5-3-9-18(11-13)15(19)14-6-8-17-10-12(14)4-2-7-16/h6,8,10,13H,3,5,7,9,11,16H2,1H3
InChIKeyAOZAZMUOKACFQA-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.64
Rot. Bonds2

About [3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone

[3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone (PubChem CID 102964074) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is [3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
PubChem CID102964074
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name[3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOC1CCCN(C(=O)c2ccncc2C#CCN)C1
InChIInChI=1S/C15H19N3O2/c1-20-13-5-3-9-18(11-13)15(19)14-6-8-17-10-12(14)4-2-7-16/h6,8,10,13H,3,5,7,9,11,16H2,1H3
InChIKeyAOZAZMUOKACFQA-UHFFFAOYSA-N
XLogP0.64
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide
CID 66481912
[3-(3-aminoprop-1-ynyl)-2-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 107524914
methyl 1-[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]pyrrolidine-2-carboxylate
CID 66483676
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[3-(3-aminoprop-1-ynyl)-4-pyridinyl]methanone
CID 115561134
1-[3-(3-hydroxyprop-1-ynyl)pyridine-4-carbonyl]piperidine-3-carboxamide
CID 66482050
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 66483802
[3-(4-hydroxybut-1-ynyl)-4-pyridinyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66484784
(E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 102964358
[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102963984
[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 66482684
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[3-(3-aminoprop-1-ynyl)-4-pyridinyl]methanone
CID 82753353
[3-(3-aminoprop-1-ynyl)thiophen-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103537061

Frequently Asked Questions

What is the IUPAC name of [3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of [3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone (CID 102964074) is [3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone is COC1CCCN(C(=O)c2ccncc2C#CCN)C1.
What is the InChIKey of [3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is AOZAZMUOKACFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-13-5-3-9-18(11-13)15(19)14-6-8-17-10-12(14)4-2-7-16/h6,8,10,13H,3,5,7,9,11,16H2,1H3.
What are the key properties of [3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone?
[3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 102964074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).