4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide

C13H26N4O2 — CID 76894523

IUPAC4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C13H26N4O2/c1-13(2,3)10(14)11(18)16-6-8-17(9-7-16)12(19)15(4)5/h10H,6-9,14H2,1-5H3
InChIKeySNXHANBRGKKOBA-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.19
Rot. Bonds1

About 4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide

4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 76894523) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID76894523
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)C(N)C(C)(C)C)CC1
InChIInChI=1S/C13H26N4O2/c1-13(2,3)10(14)11(18)16-6-8-17(9-7-16)12(19)15(4)5/h10H,6-9,14H2,1-5H3
InChIKeySNXHANBRGKKOBA-UHFFFAOYSA-N
XLogP0.19
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 103929106
2-amino-1-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 76895179
(2S)-2-amino-3,3-dimethyl-1-[4-(3-methylbutanoyl)piperazin-1-yl]butan-1-one
CID 61163008
2-[4-[(2R)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]acetic acid
CID 113353402
4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 93373838
4-(2-aminopentanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 54872852
2-amino-3,3-dimethyl-1-[4-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 77073242
(2S)-2-amino-3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119675086
3-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]propanoic acid
CID 61160075
(2R)-2-amino-3,3-dimethyl-1-(4-prop-2-ynylpiperazin-1-yl)butan-1-one
CID 113353381
2-amino-1-(4-benzylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 76892322
2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide
CID 76895214

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide (CID 76894523) is 4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)C(N)C(C)(C)C)CC1.
What is the InChIKey of 4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is SNXHANBRGKKOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-13(2,3)10(14)11(18)16-6-8-17(9-7-16)12(19)15(4)5/h10H,6-9,14H2,1-5H3.
What are the key properties of 4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3,3-dimethylbutanoyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 76894523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).