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

C17H23F2N3O2 — CID 155975856

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone
SMILESCOc1cccc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C17H23F2N3O2/c1-24-15-4-2-3-14(20-15)21-9-5-13(6-10-21)16(23)22-11-7-17(18,19)8-12-22/h2-4,13H,5-12H2,1H3
InChIKeyZXBVQMDDXRFLSO-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.56
Rot. Bonds3

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

(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone (PubChem CID 155975856) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone
PubChem CID155975856
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone
SMILESCOc1cccc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C17H23F2N3O2/c1-24-15-4-2-3-14(20-15)21-9-5-13(6-10-21)16(23)22-11-7-17(18,19)8-12-22/h2-4,13H,5-12H2,1H3
InChIKeyZXBVQMDDXRFLSO-UHFFFAOYSA-N
XLogP2.56
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4-difluoropiperidin-1-yl)-6-methoxypyridine
CID 169116672
[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974138
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
1-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]ethanol
CID 106837299
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
CID 91502477
1-(6-methoxy-2-pyridinyl)-N-methylpiperidin-4-amine
CID 63591617
(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanone
CID 165434671
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
2-(3-chloropyrrolidin-1-yl)-6-methoxypyridine
CID 63587814
(4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 155976040
[1-(6-chloroquinoxalin-2-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155976272

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone (CID 155975856) is (4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone is COc1cccc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone?
The InChIKey is ZXBVQMDDXRFLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-24-15-4-2-3-14(20-15)21-9-5-13(6-10-21)16(23)22-11-7-17(18,19)8-12-22/h2-4,13H,5-12H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone has a molecular weight of 339.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone is sourced from PubChem (CID 155975856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).