N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide

C13H27N3O — CID 65461988

IUPACN-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCNCC1(C)C
InChIInChI=1S/C13H27N3O/c1-10(11(17)15-12(2,3)4)16-8-7-14-9-13(16,5)6/h10,14H,7-9H2,1-6H3,(H,15,17)
InChIKeyXSSJHYQECRQTCV-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.97
Rot. Bonds2

About N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide

N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide (PubChem CID 65461988) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide
PubChem CID65461988
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide
SMILESCC(C(=O)NC(C)(C)C)N1CCNCC1(C)C
InChIInChI=1S/C13H27N3O/c1-10(11(17)15-12(2,3)4)16-8-7-14-9-13(16,5)6/h10,14H,7-9H2,1-6H3,(H,15,17)
InChIKeyXSSJHYQECRQTCV-UHFFFAOYSA-N
XLogP0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide?
The IUPAC name of N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide (CID 65461988) is N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide?
The canonical SMILES for N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide is CC(C(=O)NC(C)(C)C)N1CCNCC1(C)C.
What is the InChIKey of N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide?
The InChIKey is XSSJHYQECRQTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(11(17)15-12(2,3)4)16-8-7-14-9-13(16,5)6/h10,14H,7-9H2,1-6H3,(H,15,17).
What are the key properties of N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide?
N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide has a molecular weight of 241.38 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,2-dimethylpiperazin-1-yl)propanamide is sourced from PubChem (CID 65461988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).