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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 51244020
N-(tert-butylcarbamoyl)-2-morpholin-4-ylpropanamide
CID 51242479
N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51171979
(2S)-2-(4-benzhydrylpiperazin-1-yl)-N-(tert-butylcarbamoyl)propanamide
CID 9275115
(2S)-N-(tert-butylcarbamoyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430972
(2R)-N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
CID 99122935
N-(tert-butylcarbamoyl)-2-(3,3-dimethylpiperidin-1-yl)propanamide
CID 91642695
4-[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl]-N-(3-chloro-4-methylphenyl)piperazine-1-carboxamide
CID 97246729
(2R)-N-(tert-butylcarbamoyl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 94796955
1-[4-(1-hydroxyethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 148838219
N-(tert-butylcarbamoyl)-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 24680027
(2S)-N-(tert-butylcarbamoyl)-2-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]propanamide
CID 9494194

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).