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

C18H19F2N3O — CID 24791780

IUPAC[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(Nc3ccc(F)c(F)c3)C2)cn1
InChIInChI=1S/C18H19F2N3O/c1-12-4-5-13(10-21-12)18(24)23-8-2-3-15(11-23)22-14-6-7-16(19)17(20)9-14/h4-7,9-10,15,22H,2-3,8,11H2,1H3
InChIKeyBXTSMWLZEJHWPO-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.38
Rot. Bonds3

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

[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 24791780) 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-3-pyridinyl)methanone.

Molecular Properties

Compound Name[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID24791780
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2CCCC(Nc3ccc(F)c(F)c3)C2)cn1
InChIInChI=1S/C18H19F2N3O/c1-12-4-5-13(10-21-12)18(24)23-8-2-3-15(11-23)22-14-6-7-16(19)17(20)9-14/h4-7,9-10,15,22H,2-3,8,11H2,1H3
InChIKeyBXTSMWLZEJHWPO-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 42292653
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
1,3-benzodioxol-5-yl-[3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 45178750
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 25450118
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26398252
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[2-(methylamino)-3-pyridinyl]methanone
CID 95728105
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 95725142
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
2-amino-1-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]-2-methylpropan-1-one
CID 95717027
[3-(3,4-difluoroanilino)piperidin-1-yl]-(3-ethyl-1-methylpyrazol-5-yl)methanone
CID 24791396

Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone (CID 24791780) is [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2CCCC(Nc3ccc(F)c(F)c3)C2)cn1.
What is the InChIKey of [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is BXTSMWLZEJHWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c1-12-4-5-13(10-21-12)18(24)23-8-2-3-15(11-23)22-14-6-7-16(19)17(20)9-14/h4-7,9-10,15,22H,2-3,8,11H2,1H3.
What are the key properties of [3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone?
[3-(3,4-difluoroanilino)piperidin-1-yl]-(6-methyl-3-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-3-pyridinyl)methanone is sourced from PubChem (CID 24791780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).