[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

C18H19F2N3O — CID 24818894

IUPAC[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(Nc3ccc(F)c(F)c3)C2)n1
InChIInChI=1S/C18H19F2N3O/c1-12-4-2-6-17(21-12)18(24)23-9-3-5-14(11-23)22-13-7-8-15(19)16(20)10-13/h2,4,6-8,10,14,22H,3,5,9,11H2,1H3
InChIKeyZCUKFOAOJXDUBA-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.38
Rot. Bonds3

About [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone

[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (PubChem CID 24818894) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
PubChem CID24818894
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
SMILESCc1cccc(C(=O)N2CCCC(Nc3ccc(F)c(F)c3)C2)n1
InChIInChI=1S/C18H19F2N3O/c1-12-4-2-6-17(21-12)18(24)23-9-3-5-14(11-23)22-13-7-8-15(19)16(20)10-13/h2,4,6-8,10,14,22H,3,5,9,11H2,1H3
InChIKeyZCUKFOAOJXDUBA-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone (CID 24818894) is [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone.
What is the SMILES notation for [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The canonical SMILES for [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is Cc1cccc(C(=O)N2CCCC(Nc3ccc(F)c(F)c3)C2)n1.
What is the InChIKey of [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
The InChIKey is ZCUKFOAOJXDUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-12-4-2-6-17(21-12)18(24)23-9-3-5-14(11-23)22-13-7-8-15(19)16(20)10-13/h2,4,6-8,10,14,22H,3,5,9,11H2,1H3.
What are the key properties of [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone?
[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone has a molecular weight of 331.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 24818894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).