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

C16H19Cl2F2N3O — CID 163354027

IUPAC[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCCN(c2ncc(Cl)cc2Cl)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H19Cl2F2N3O/c17-12-8-13(18)14(21-9-12)23-5-1-2-11(10-23)15(24)22-6-3-16(19,20)4-7-22/h8-9,11H,1-7,10H2
InChIKeyXKMCMBVKNKZXMQ-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.86
Rot. Bonds2

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

[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 163354027) has the molecular formula C16H19Cl2F2N3O and a molecular weight of 378.25 g/mol. Its IUPAC name is [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID163354027
Molecular FormulaC16H19Cl2F2N3O
Molecular Weight378.25 g/mol
Exact Mass377.09
IUPAC Name[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(C1CCCN(c2ncc(Cl)cc2Cl)C1)N1CCC(F)(F)CC1
InChIInChI=1S/C16H19Cl2F2N3O/c17-12-8-13(18)14(21-9-12)23-5-1-2-11(10-23)15(24)22-6-3-16(19,20)4-7-22/h8-9,11H,1-7,10H2
InChIKeyXKMCMBVKNKZXMQ-UHFFFAOYSA-N
XLogP3.86
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860
[4-(3,5-dichloro-2-pyridinyl)morpholin-2-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163347989
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354030
3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 163357777
[1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165434726
[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163345044
(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
CID 107225530
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358108
4-[4-(3,5-dichloro-2-pyridinyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674391
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]methanone
CID 163354584
(4,4-difluoropiperidin-1-yl)-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 163354717
(4,4-difluoropiperidin-1-yl)-(1-quinoxalin-2-ylpiperidin-3-yl)methanone
CID 163354765

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone (CID 163354027) is [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is O=C(C1CCCN(c2ncc(Cl)cc2Cl)C1)N1CCC(F)(F)CC1.
What is the InChIKey of [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is XKMCMBVKNKZXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2F2N3O/c17-12-8-13(18)14(21-9-12)23-5-1-2-11(10-23)15(24)22-6-3-16(19,20)4-7-22/h8-9,11H,1-7,10H2.
What are the key properties of [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone?
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 378.25 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 163354027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).