N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide

C16H31N3O2 — CID 832086

IUPACN-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-15(2,3)13(20)17-7-8-18-9-11-19(12-10-18)14(21)16(4,5)6/h7-12H2,1-6H3,(H,17,20)
InChIKeyWIHMFYMRCLITKV-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.34
Rot. Bonds3

About N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 832086) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID832086
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCN1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-15(2,3)13(20)17-7-8-18-9-11-19(12-10-18)14(21)16(4,5)6/h7-12H2,1-6H3,(H,17,20)
InChIKeyWIHMFYMRCLITKV-UHFFFAOYSA-N
XLogP1.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide (CID 832086) is N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCN1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is WIHMFYMRCLITKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-15(2,3)13(20)17-7-8-18-9-11-19(12-10-18)14(21)16(4,5)6/h7-12H2,1-6H3,(H,17,20).
What are the key properties of N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 297.44 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 832086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).