2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

C15H23N7O — CID 72860418

IUPAC2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCc1nccn1Cc1nnc(C2CCN(CC(N)=O)CC2)n1C
InChIInChI=1S/C15H23N7O/c1-11-17-5-8-22(11)10-14-18-19-15(20(14)2)12-3-6-21(7-4-12)9-13(16)23/h5,8,12H,3-4,6-7,9-10H2,1-2H3,(H2,16,23)
InChIKeyGYEKORDYSKJFDD-UHFFFAOYSA-N
MW317.40 g/mol
LogP0.03
Rot. Bonds5

About 2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide

2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (PubChem CID 72860418) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
PubChem CID72860418
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide
SMILESCc1nccn1Cc1nnc(C2CCN(CC(N)=O)CC2)n1C
InChIInChI=1S/C15H23N7O/c1-11-17-5-8-22(11)10-14-18-19-15(20(14)2)12-3-6-21(7-4-12)9-13(16)23/h5,8,12H,3-4,6-7,9-10H2,1-2H3,(H2,16,23)
InChIKeyGYEKORDYSKJFDD-UHFFFAOYSA-N
XLogP0.03
TPSA94.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide (CID 72860418) is 2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is Cc1nccn1Cc1nnc(C2CCN(CC(N)=O)CC2)n1C.
What is the InChIKey of 2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
The InChIKey is GYEKORDYSKJFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-11-17-5-8-22(11)10-14-18-19-15(20(14)2)12-3-6-21(7-4-12)9-13(16)23/h5,8,12H,3-4,6-7,9-10H2,1-2H3,(H2,16,23).
What are the key properties of 2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide?
2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide has a molecular weight of 317.40 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 72860418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).