1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone

C10H15BrN4O — CID 106464093

IUPAC1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone
SMILESCn1nnc(Br)c1C(=O)CC1CCNCC1
InChIInChI=1S/C10H15BrN4O/c1-15-9(10(11)13-14-15)8(16)6-7-2-4-12-5-3-7/h7,12H,2-6H2,1H3
InChIKeyFYVJGSLVHKFUPN-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.15
Rot. Bonds3

About 1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone

1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone (PubChem CID 106464093) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone
PubChem CID106464093
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone
SMILESCn1nnc(Br)c1C(=O)CC1CCNCC1
InChIInChI=1S/C10H15BrN4O/c1-15-9(10(11)13-14-15)8(16)6-7-2-4-12-5-3-7/h7,12H,2-6H2,1H3
InChIKeyFYVJGSLVHKFUPN-UHFFFAOYSA-N
XLogP1.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-piperidin-4-ylethanone
CID 114668710
1-(5-bromo-3-methyltriazol-4-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)ethanone
CID 106464214
3-amino-1-(5-bromo-3-methyltriazol-4-yl)propan-1-one
CID 84795806
1-(5-bromo-3-methyltriazol-4-yl)-2-ethylsulfanylethanone
CID 106461570
1-(5-bromo-3-methyltriazol-4-yl)-2-propan-2-ylsulfanylethanone
CID 106461572
(3-aminoazetidin-1-yl)-(5-bromo-3-methyltriazol-4-yl)methanone
CID 130597552
1-(2-methyltetrazol-5-yl)-3-piperidin-4-ylpropan-2-one
CID 107061884
1-(4-methoxy-1-methylpyrazol-5-yl)-2-pyrrolidin-3-ylethanone
CID 114669849
1-(3-ethyltriazol-4-yl)-2-piperidin-4-ylethanone
CID 84735384
2-piperidin-4-yl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide;hydrochloride
CID 119688873
(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methanone
CID 106464373
3-azabicyclo[3.1.0]hexan-3-yl-(5-bromo-3-methyltriazol-4-yl)methanone
CID 130921394

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone (CID 106464093) is 1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone is Cn1nnc(Br)c1C(=O)CC1CCNCC1.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone?
The InChIKey is FYVJGSLVHKFUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-15-9(10(11)13-14-15)8(16)6-7-2-4-12-5-3-7/h7,12H,2-6H2,1H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone?
1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone has a molecular weight of 287.16 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 106464093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).