(4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone

C17H18FN3O — CID 56749552

IUPAC(4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESNc1ccnc(C(=O)N2CCCCC2c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3O/c18-13-6-4-12(5-7-13)16-3-1-2-10-21(16)17(22)15-11-14(19)8-9-20-15/h4-9,11,16H,1-3,10H2,(H2,19,20)
InChIKeyXEZZGEKPCHIGND-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.17
Rot. Bonds2

About (4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone

(4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 56749552) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is (4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone
PubChem CID56749552
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESNc1ccnc(C(=O)N2CCCCC2c2ccc(F)cc2)c1
InChIInChI=1S/C17H18FN3O/c18-13-6-4-12(5-7-13)16-3-1-2-10-21(16)17(22)15-11-14(19)8-9-20-15/h4-9,11,16H,1-3,10H2,(H2,19,20)
InChIKeyXEZZGEKPCHIGND-UHFFFAOYSA-N
XLogP3.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone (CID 56749552) is (4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone is Nc1ccnc(C(=O)N2CCCCC2c2ccc(F)cc2)c1.
What is the InChIKey of (4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is XEZZGEKPCHIGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O/c18-13-6-4-12(5-7-13)16-3-1-2-10-21(16)17(22)15-11-14(19)8-9-20-15/h4-9,11,16H,1-3,10H2,(H2,19,20).
What are the key properties of (4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone?
(4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 299.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-pyridinyl)-[2-(4-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56749552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).