2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one

C14H20BrN3O — CID 104797141

IUPAC2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1cncc(Br)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H20BrN3O/c1-11(14(19)18-5-3-2-4-6-18)17-9-12-7-13(15)10-16-8-12/h7-8,10-11,17H,2-6,9H2,1H3
InChIKeyCDMAIESTKCECLZ-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.33
Rot. Bonds4

About 2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one

2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 104797141) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID104797141
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1cncc(Br)c1)C(=O)N1CCCCC1
InChIInChI=1S/C14H20BrN3O/c1-11(14(19)18-5-3-2-4-6-18)17-9-12-7-13(15)10-16-8-12/h7-8,10-11,17H,2-6,9H2,1H3
InChIKeyCDMAIESTKCECLZ-UHFFFAOYSA-N
XLogP2.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
2-[(5-bromothiophen-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866261
2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide
CID 104797136
5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 47468363
2-[(4-bromothiophen-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866286
2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62997460
1-(azepan-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
CID 104589380
2-(5-bromo-3-pyridinyl)-1-piperidin-1-ylethanone
CID 18985988
1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
CID 62761838
2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115652632
1-(azepan-1-yl)-2-[(3-chlorophenyl)methylamino]propan-1-one
CID 60677398
2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931631

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 104797141) is 2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one is CC(NCc1cncc(Br)c1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is CDMAIESTKCECLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-11(14(19)18-5-3-2-4-6-18)17-9-12-7-13(15)10-16-8-12/h7-8,10-11,17H,2-6,9H2,1H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 326.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 104797141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).