1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one

C13H18BrN3O — CID 114223180

IUPAC1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(c2cncc(Br)c2)C1=O
InChIInChI=1S/C13H18BrN3O/c1-2-5-16-12-4-3-6-17(13(12)18)11-7-10(14)8-15-9-11/h7-9,12,16H,2-6H2,1H3
InChIKeySXMBXPUXGJLFQX-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.34
Rot. Bonds4

About 1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one

1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one (PubChem CID 114223180) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one
PubChem CID114223180
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one
SMILESCCCNC1CCCN(c2cncc(Br)c2)C1=O
InChIInChI=1S/C13H18BrN3O/c1-2-5-16-12-4-3-6-17(13(12)18)11-7-10(14)8-15-9-11/h7-9,12,16H,2-6H2,1H3
InChIKeySXMBXPUXGJLFQX-UHFFFAOYSA-N
XLogP2.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one (CID 114223180) is 1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one is CCCNC1CCCN(c2cncc(Br)c2)C1=O.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one?
The InChIKey is SXMBXPUXGJLFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c1-2-5-16-12-4-3-6-17(13(12)18)11-7-10(14)8-15-9-11/h7-9,12,16H,2-6H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one?
1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one has a molecular weight of 312.21 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-3-(propylamino)piperidin-2-one is sourced from PubChem (CID 114223180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).