[1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

C15H20BrN3O — CID 75374152

IUPAC[1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(c2cncc(Br)c2)C1)N1CCCC1
InChIInChI=1S/C15H20BrN3O/c16-13-8-14(10-17-9-13)19-7-3-4-12(11-19)15(20)18-5-1-2-6-18/h8-10,12H,1-7,11H2
InChIKeyOAFGIORIQVEWRL-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.68
Rot. Bonds2

About [1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

[1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 75374152) has the molecular formula C15H20BrN3O and a molecular weight of 338.25 g/mol. Its IUPAC name is [1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID75374152
Molecular FormulaC15H20BrN3O
Molecular Weight338.25 g/mol
Exact Mass337.08
IUPAC Name[1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCCN(c2cncc(Br)c2)C1)N1CCCC1
InChIInChI=1S/C15H20BrN3O/c16-13-8-14(10-17-9-13)19-7-3-4-12(11-19)15(20)18-5-1-2-6-18/h8-10,12H,1-7,11H2
InChIKeyOAFGIORIQVEWRL-UHFFFAOYSA-N
XLogP2.68
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-3-pyridinyl)-N-cyclopropylpiperidin-3-amine
CID 114223190
2-(5-bromo-3-pyridinyl)-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 114223219
[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163345044
ethyl N-[(3R)-1-(5-bromo-3-pyridinyl)piperidin-3-yl]carbamate
CID 97029184
2-[[1-(5-bromo-3-pyridinyl)azepane-4-carbonyl]amino]propanoic acid
CID 143008622
1-[1-(5-bromo-3-pyridinyl)piperidin-3-yl]imidazolidin-2-one
CID 71926555
[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166602420
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 155974121
[1-(5-bromopyridine-3-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 51152726
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860
2-benzyl-5-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 95115909
[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 [1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 75374152) is [1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCCN(c2cncc(Br)c2)C1)N1CCCC1.
What is the InChIKey of [1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OAFGIORIQVEWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O/c16-13-8-14(10-17-9-13)19-7-3-4-12(11-19)15(20)18-5-1-2-6-18/h8-10,12H,1-7,11H2.
What are the key properties of [1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone?
[1-(5-bromo-3-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 338.25 g/mol, XLogP of 2.68, 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-pyridinyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 75374152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).