N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide

C15H28N4O3 — CID 51171979

IUPACN-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
SMILESCC(C)C(=O)N1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H28N4O3/c1-11(2)13(21)19-8-6-18(7-9-19)10-12(20)16-14(22)17-15(3,4)5/h11H,6-10H2,1-5H3,(H2,16,17,20,22)
InChIKeyVISFPIUVPGDZHE-UHFFFAOYSA-N
MW312.41 g/mol
LogP0.41
Rot. Bonds3

About N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide

N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide (PubChem CID 51171979) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
PubChem CID51171979
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
SMILESCC(C)C(=O)N1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H28N4O3/c1-11(2)13(21)19-8-6-18(7-9-19)10-12(20)16-14(22)17-15(3,4)5/h11H,6-10H2,1-5H3,(H2,16,17,20,22)
InChIKeyVISFPIUVPGDZHE-UHFFFAOYSA-N
XLogP0.41
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 60641709
N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 46563161
methyl (3R)-3-[4-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperazin-1-yl]butanoate
CID 95786399
3,3-dimethyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]butan-2-one
CID 110709718
N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 51244020
N-(tert-butylcarbamoyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]acetamide
CID 24618046
N-(tert-butylcarbamoyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 2698072
N-(tert-butylcarbamoyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9127677
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 2697732
2-[4-(2-methylpropanoyl)piperazin-1-yl]ethanethioamide
CID 63336234
N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]acetamide
CID 9113409
1-(4-ethylpiperazin-1-yl)-2-methylpropan-1-one
CID 4069425

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide (CID 51171979) is N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide is CC(C)C(=O)N1CCN(CC(=O)NC(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
The InChIKey is VISFPIUVPGDZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-11(2)13(21)19-8-6-18(7-9-19)10-12(20)16-14(22)17-15(3,4)5/h11H,6-10H2,1-5H3,(H2,16,17,20,22).
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide?
N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide has a molecular weight of 312.41 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 51171979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).