3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one

C13H18BrN3O — CID 104777246

IUPAC3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNc1ccncc1Br)N1CCCCC1
InChIInChI=1S/C13H18BrN3O/c14-11-10-15-6-4-12(11)16-7-5-13(18)17-8-2-1-3-9-17/h4,6,10H,1-3,5,7-9H2,(H,15,16)
InChIKeyVJBXHMISYKBBRY-UHFFFAOYSA-N
MW312.21 g/mol
LogP2.66
Rot. Bonds4

About 3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one

3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 104777246) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID104777246
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
SMILESO=C(CCNc1ccncc1Br)N1CCCCC1
InChIInChI=1S/C13H18BrN3O/c14-11-10-15-6-4-12(11)16-7-5-13(18)17-8-2-1-3-9-17/h4,6,10H,1-3,5,7-9H2,(H,15,16)
InChIKeyVJBXHMISYKBBRY-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-aminoisoquinolin-8-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103139100
3-[(3-chloro-4-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112697162
3-[(5-bromopyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 115619264
3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113411617
3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013832
3-[(7-fluoroquinolin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 154834944
2-bromo-6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzenecarbothioamide
CID 114882691
(3-bromo-4-pyridinyl)-piperidin-1-ylmethanone
CID 130772047
4-bromo-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-2-prop-2-enylpyridazin-3-one
CID 114441691
1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 113243711
3-(2,3-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013836
3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one (CID 104777246) is 3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one is O=C(CCNc1ccncc1Br)N1CCCCC1.
What is the InChIKey of 3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is VJBXHMISYKBBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-11-10-15-6-4-12(11)16-7-5-13(18)17-8-2-1-3-9-17/h4,6,10H,1-3,5,7-9H2,(H,15,16).
What are the key properties of 3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one?
3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 312.21 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 104777246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).