[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone

C17H22BrF2N3O — CID 155974321

IUPAC[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESCc1cc(Br)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C17H22BrF2N3O/c1-12-10-14(18)11-21-15(12)22-6-2-13(3-7-22)16(24)23-8-4-17(19,20)5-9-23/h10-11,13H,2-9H2,1H3
InChIKeyZSKFOVOJAQXZAH-UHFFFAOYSA-N
MW402.28 g/mol
LogP3.63
Rot. Bonds2

About [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone

[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 155974321) has the molecular formula C17H22BrF2N3O and a molecular weight of 402.28 g/mol. Its IUPAC name is [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID155974321
Molecular FormulaC17H22BrF2N3O
Molecular Weight402.28 g/mol
Exact Mass401.09
IUPAC Name[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESCc1cc(Br)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C17H22BrF2N3O/c1-12-10-14(18)11-21-15(12)22-6-2-13(3-7-22)16(24)23-8-4-17(19,20)5-9-23/h10-11,13H,2-9H2,1H3
InChIKeyZSKFOVOJAQXZAH-UHFFFAOYSA-N
XLogP3.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
(4,4-difluoropiperidin-1-yl)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155975803
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354030
1-(5-bromo-3-methyl-2-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359803
1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide
CID 133373806
1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171704130
(4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 155975797
(4,4-difluoropiperidin-1-yl)-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanone
CID 165431783
[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-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanone
CID 165434671
5-bromo-2-[4-(chloromethyl)piperidin-1-yl]-3-methylpyridine
CID 79718248

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 155974321) is [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is Cc1cc(Br)cnc1N1CCC(C(=O)N2CCC(F)(F)CC2)CC1.
What is the InChIKey of [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is ZSKFOVOJAQXZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrF2N3O/c1-12-10-14(18)11-21-15(12)22-6-2-13(3-7-22)16(24)23-8-4-17(19,20)5-9-23/h10-11,13H,2-9H2,1H3.
What are the key properties of [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 402.28 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 155974321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).