(4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone

C12H14BrN5O2 — CID 128980454

IUPAC(4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)c[nH]1)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C12H14BrN5O2/c13-8-4-9(14-5-8)11(19)18-3-1-2-12(20,7-18)10-6-15-17-16-10/h4-6,14,20H,1-3,7H2,(H,15,16,17)
InChIKeyQTPYGANEPJIXSW-UHFFFAOYSA-N
MW340.18 g/mol
LogP1.02
Rot. Bonds2

About (4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone

(4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 128980454) has the molecular formula C12H14BrN5O2 and a molecular weight of 340.18 g/mol. Its IUPAC name is (4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID128980454
Molecular FormulaC12H14BrN5O2
Molecular Weight340.18 g/mol
Exact Mass339.03
IUPAC Name(4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1cc(Br)c[nH]1)N1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C12H14BrN5O2/c13-8-4-9(14-5-8)11(19)18-3-1-2-12(20,7-18)10-6-15-17-16-10/h4-6,14,20H,1-3,7H2,(H,15,16,17)
InChIKeyQTPYGANEPJIXSW-UHFFFAOYSA-N
XLogP1.02
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-(1H-indol-6-yl)methanone
CID 128980534
1-(4-bromo-1H-pyrrole-2-carbonyl)-3-hydroxypiperidine-3-carboxamide
CID 128964558
(3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 128981867
(2,3-dimethyl-1H-indol-5-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 167775691
[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-[3-(trifluoromethyl)-4-pyridinyl]methanone
CID 128981886
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 128981838
[4-(cyclopropylmethoxy)phenyl]-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 167902588
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 167977497
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 167904925
[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 129484688
(2,4-dimethylfuran-3-yl)-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 129482684
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one
CID 128981803

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone (CID 128980454) is (4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone is O=C(c1cc(Br)c[nH]1)N1CCCC(O)(c2cn[nH]n2)C1.
What is the InChIKey of (4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is QTPYGANEPJIXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5O2/c13-8-4-9(14-5-8)11(19)18-3-1-2-12(20,7-18)10-6-15-17-16-10/h4-6,14,20H,1-3,7H2,(H,15,16,17).
What are the key properties of (4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone?
(4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 340.18 g/mol, XLogP of 1.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-pyrrol-2-yl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 128980454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).