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

C16H30N4O3 — CID 46563161

IUPACN-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C)C(=O)N1CCN(C(C)C(=O)NC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O3/c1-11(2)14(22)20-9-7-19(8-10-20)12(3)13(21)17-15(23)18-16(4,5)6/h11-12H,7-10H2,1-6H3,(H2,17,18,21,23)
InChIKeySXCHUWZJIVACHH-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.80
Rot. Bonds3

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

N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (PubChem CID 46563161) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
PubChem CID46563161
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
SMILESCC(C)C(=O)N1CCN(C(C)C(=O)NC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C16H30N4O3/c1-11(2)14(22)20-9-7-19(8-10-20)12(3)13(21)17-15(23)18-16(4,5)6/h11-12H,7-10H2,1-6H3,(H2,17,18,21,23)
InChIKeySXCHUWZJIVACHH-UHFFFAOYSA-N
XLogP0.80
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide (CID 46563161) is N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide is CC(C)C(=O)N1CCN(C(C)C(=O)NC(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
The InChIKey is SXCHUWZJIVACHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-11(2)14(22)20-9-7-19(8-10-20)12(3)13(21)17-15(23)18-16(4,5)6/h11-12H,7-10H2,1-6H3,(H2,17,18,21,23).
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide?
N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 0.80, 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]propanamide is sourced from PubChem (CID 46563161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).