[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone

C16H19FN2O2 — CID 60822509

IUPAC[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(C#CCN)cc2F)CC1
InChIInChI=1S/C16H19FN2O2/c1-21-13-6-9-19(10-7-13)16(20)14-5-4-12(3-2-8-18)11-15(14)17/h4-5,11,13H,6-10,18H2,1H3
InChIKeyRJKQWRPPYDIHGS-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.39
Rot. Bonds2

About [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone

[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 60822509) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID60822509
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2ccc(C#CCN)cc2F)CC1
InChIInChI=1S/C16H19FN2O2/c1-21-13-6-9-19(10-7-13)16(20)14-5-4-12(3-2-8-18)11-15(14)17/h4-5,11,13H,6-10,18H2,1H3
InChIKeyRJKQWRPPYDIHGS-UHFFFAOYSA-N
XLogP1.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone (CID 60822509) is [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone is COC1CCN(C(=O)c2ccc(C#CCN)cc2F)CC1.
What is the InChIKey of [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is RJKQWRPPYDIHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-21-13-6-9-19(10-7-13)16(20)14-5-4-12(3-2-8-18)11-15(14)17/h4-5,11,13H,6-10,18H2,1H3.
What are the key properties of [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone?
[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone has a molecular weight of 290.34 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 60822509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).