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

C17H23F2N3O — CID 163354584

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
SMILESCc1cccc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C17H23F2N3O/c1-13-4-2-6-15(20-13)22-9-3-5-14(12-22)16(23)21-10-7-17(18,19)8-11-21/h2,4,6,14H,3,5,7-12H2,1H3
InChIKeyNZGPSNLFIWQSDX-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.86
Rot. Bonds2

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

(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone (PubChem CID 163354584) has the molecular formula C17H23F2N3O and a molecular weight of 323.39 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
PubChem CID163354584
Molecular FormulaC17H23F2N3O
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
SMILESCc1cccc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C17H23F2N3O/c1-13-4-2-6-15(20-13)22-9-3-5-14(12-22)16(23)21-10-7-17(18,19)8-11-21/h2,4,6,14H,3,5,7-12H2,1H3
InChIKeyNZGPSNLFIWQSDX-UHFFFAOYSA-N
XLogP2.86
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358156
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-[1-(oxan-4-yl)piperidin-3-yl]methanone
CID 72907622
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 163354717
(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanone
CID 165434671
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358108
(4,4-difluoropiperidin-1-yl)-[1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 163358025
(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone
CID 155975856
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354027
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanone
CID 163354691
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354030

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone (CID 163354584) is (4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone is Cc1cccc(N2CCCC(C(=O)N3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone?
The InChIKey is NZGPSNLFIWQSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O/c1-13-4-2-6-15(20-13)22-9-3-5-14(12-22)16(23)21-10-7-17(18,19)8-11-21/h2,4,6,14H,3,5,7-12H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone has a molecular weight of 323.39 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone is sourced from PubChem (CID 163354584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).