2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

C17H30N6O2 — CID 56891368

IUPAC2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CNC(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C17H30N6O2/c1-5-7-23-12-20-21-14(23)10-19-15(24)9-13-16(25)18-6-8-22(13)11-17(2,3)4/h12-13H,5-11H2,1-4H3,(H,18,25)(H,19,24)
InChIKeyXVAHYAZHPCVNCK-UHFFFAOYSA-N
MW350.47 g/mol
LogP0.54
Rot. Bonds7

About 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 56891368) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID56891368
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCCn1cnnc1CNC(=O)CC1C(=O)NCCN1CC(C)(C)C
InChIInChI=1S/C17H30N6O2/c1-5-7-23-12-20-21-14(23)10-19-15(24)9-13-16(25)18-6-8-22(13)11-17(2,3)4/h12-13H,5-11H2,1-4H3,(H,18,25)(H,19,24)
InChIKeyXVAHYAZHPCVNCK-UHFFFAOYSA-N
XLogP0.54
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 56891368) is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is CCCn1cnnc1CNC(=O)CC1C(=O)NCCN1CC(C)(C)C.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is XVAHYAZHPCVNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-5-7-23-12-20-21-14(23)10-19-15(24)9-13-16(25)18-6-8-22(13)11-17(2,3)4/h12-13H,5-11H2,1-4H3,(H,18,25)(H,19,24).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 350.47 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 56891368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).