2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide

C14H29N3O — CID 63874811

IUPAC2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CC(C)NC(C)C1
InChIInChI=1S/C14H29N3O/c1-7-14(5,6)16-13(18)12(4)17-8-10(2)15-11(3)9-17/h10-12,15H,7-9H2,1-6H3,(H,16,18)
InChIKeyPUSMUSJHDOXYHU-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.36
Rot. Bonds4

About 2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide

2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 63874811) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide
PubChem CID63874811
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CC(C)NC(C)C1
InChIInChI=1S/C14H29N3O/c1-7-14(5,6)16-13(18)12(4)17-8-10(2)15-11(3)9-17/h10-12,15H,7-9H2,1-6H3,(H,16,18)
InChIKeyPUSMUSJHDOXYHU-UHFFFAOYSA-N
XLogP1.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide (CID 63874811) is 2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)N1CC(C)NC(C)C1.
What is the InChIKey of 2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is PUSMUSJHDOXYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-7-14(5,6)16-13(18)12(4)17-8-10(2)15-11(3)9-17/h10-12,15H,7-9H2,1-6H3,(H,16,18).
What are the key properties of 2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide?
2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 255.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 63874811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).