N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide

C15H19BrN6O — CID 118165270

IUPACN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide
SMILESNc1nc(N2CCC(NC(=O)Cc3ccc(Br)cc3)CC2)n[nH]1
InChIInChI=1S/C15H19BrN6O/c16-11-3-1-10(2-4-11)9-13(23)18-12-5-7-22(8-6-12)15-19-14(17)20-21-15/h1-4,12H,5-9H2,(H,18,23)(H3,17,19,20,21)
InChIKeyGWBOVTYLFIDZOC-UHFFFAOYSA-N
MW379.26 g/mol
LogP1.48
Rot. Bonds4

About N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide

N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide (PubChem CID 118165270) has the molecular formula C15H19BrN6O and a molecular weight of 379.26 g/mol. Its IUPAC name is N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide
PubChem CID118165270
Molecular FormulaC15H19BrN6O
Molecular Weight379.26 g/mol
Exact Mass378.08
IUPAC NameN-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide
SMILESNc1nc(N2CCC(NC(=O)Cc3ccc(Br)cc3)CC2)n[nH]1
InChIInChI=1S/C15H19BrN6O/c16-11-3-1-10(2-4-11)9-13(23)18-12-5-7-22(8-6-12)15-19-14(17)20-21-15/h1-4,12H,5-9H2,(H,18,23)(H3,17,19,20,21)
InChIKeyGWBOVTYLFIDZOC-UHFFFAOYSA-N
XLogP1.48
TPSA99.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide?
The IUPAC name of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide (CID 118165270) is N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide is Nc1nc(N2CCC(NC(=O)Cc3ccc(Br)cc3)CC2)n[nH]1.
What is the InChIKey of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide?
The InChIKey is GWBOVTYLFIDZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN6O/c16-11-3-1-10(2-4-11)9-13(23)18-12-5-7-22(8-6-12)15-19-14(17)20-21-15/h1-4,12H,5-9H2,(H,18,23)(H3,17,19,20,21).
What are the key properties of N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide?
N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide has a molecular weight of 379.26 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 118165270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).