2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide

C19H24N6O3 — CID 95807514

IUPAC2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(CC(N)=O)nc12
InChIInChI=1S/C19H24N6O3/c1-12-6-5-7-13(2)24(12)17(27)11-22-14-8-3-4-9-15(14)25-18(22)21-23(19(25)28)10-16(20)26/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,20,26)/t12-,13-/m1/s1
InChIKeyICZMTPIFUZIXAC-CHWSQXEVSA-N
MW384.44 g/mol
LogP0.73
Rot. Bonds4

About 2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide

2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide (PubChem CID 95807514) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide
PubChem CID95807514
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC Name2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide
SMILESC[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(CC(N)=O)nc12
InChIInChI=1S/C19H24N6O3/c1-12-6-5-7-13(2)24(12)17(27)11-22-14-8-3-4-9-15(14)25-18(22)21-23(19(25)28)10-16(20)26/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,20,26)/t12-,13-/m1/s1
InChIKeyICZMTPIFUZIXAC-CHWSQXEVSA-N
XLogP0.73
TPSA107.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide?
The IUPAC name of 2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide (CID 95807514) is 2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide?
The canonical SMILES for 2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide is C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c2ccccc2n2c(=O)n(CC(N)=O)nc12.
What is the InChIKey of 2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide?
The InChIKey is ICZMTPIFUZIXAC-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-12-6-5-7-13(2)24(12)17(27)11-22-14-8-3-4-9-15(14)25-18(22)21-23(19(25)28)10-16(20)26/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3,(H2,20,26)/t12-,13-/m1/s1.
What are the key properties of 2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide?
2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide has a molecular weight of 384.44 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 95807514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).