[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone

C15H19BrClN3OS — CID 163345044

IUPAC[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCCN(c2ncc(Br)cc2Cl)C1)N1CCSCC1
InChIInChI=1S/C15H19BrClN3OS/c16-12-8-13(17)14(18-9-12)20-3-1-2-11(10-20)15(21)19-4-6-22-7-5-19/h8-9,11H,1-7,10H2
InChIKeyAOWOJVDFEIAGDK-UHFFFAOYSA-N
MW404.76 g/mol
LogP3.29
Rot. Bonds2

About [1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone

[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone (PubChem CID 163345044) has the molecular formula C15H19BrClN3OS and a molecular weight of 404.76 g/mol. Its IUPAC name is [1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
PubChem CID163345044
Molecular FormulaC15H19BrClN3OS
Molecular Weight404.76 g/mol
Exact Mass403.01
IUPAC Name[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCCN(c2ncc(Br)cc2Cl)C1)N1CCSCC1
InChIInChI=1S/C15H19BrClN3OS/c16-12-8-13(17)14(18-9-12)20-3-1-2-11(10-20)15(21)19-4-6-22-7-5-19/h8-9,11H,1-7,10H2
InChIKeyAOWOJVDFEIAGDK-UHFFFAOYSA-N
XLogP3.29
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.76
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155974121
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860
[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165432807
[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163343452
[1-(3-chloro-4-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155800075
[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434788
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354027
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163354030
[1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374152
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166601948
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
CID 103580205
(1-thieno[3,2-c]pyridin-4-ylpiperidin-3-yl)-thiomorpholin-4-ylmethanone
CID 163346136

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone (CID 163345044) is [1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone is O=C(C1CCCN(c2ncc(Br)cc2Cl)C1)N1CCSCC1.
What is the InChIKey of [1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is AOWOJVDFEIAGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrClN3OS/c16-12-8-13(17)14(18-9-12)20-3-1-2-11(10-20)15(21)19-4-6-22-7-5-19/h8-9,11H,1-7,10H2.
What are the key properties of [1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone?
[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 404.76 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 163345044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).