2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide

C14H26N4O3 — CID 78803750

IUPAC2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)C(NC(C)=O)C(C)C)CC1
InChIInChI=1S/C14H26N4O3/c1-10(2)13(16-11(3)19)14(21)18-7-5-17(6-8-18)9-12(20)15-4/h10,13H,5-9H2,1-4H3,(H,15,20)(H,16,19)
InChIKeyFNBDLBUGJLSBBM-UHFFFAOYSA-N
MW298.39 g/mol
LogP-0.96
Rot. Bonds5

About 2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide

2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide (PubChem CID 78803750) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide
PubChem CID78803750
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCN(C(=O)C(NC(C)=O)C(C)C)CC1
InChIInChI=1S/C14H26N4O3/c1-10(2)13(16-11(3)19)14(21)18-7-5-17(6-8-18)9-12(20)15-4/h10,13H,5-9H2,1-4H3,(H,15,20)(H,16,19)
InChIKeyFNBDLBUGJLSBBM-UHFFFAOYSA-N
XLogP-0.96
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.96
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
2-[4-(2-amino-3,3-dimethylbutanoyl)piperazin-1-yl]-N-methylacetamide
CID 76895214
N-[(2R)-3-methyl-1-oxo-1-thiomorpholin-4-ylbutan-2-yl]acetamide
CID 94205531
2-[4-(2-aminobutanoyl)piperazin-1-yl]-N-methylacetamide
CID 54869276
N-[(2S)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 9100133
N-[(2R)-1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 9100137
2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 120502572
N-[(2R)-3-methyl-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-1-oxobutan-2-yl]acetamide
CID 8641727
4-chloro-N-[3-methyl-1-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 60529436
ethane;N-methyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 170709333
N-benzyl-2-[4-[2-(benzylcarbamoylamino)-3-methylbutanoyl]piperazin-1-yl]acetamide
CID 55543585
2-[4-[2-(4-tert-butylphenoxy)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 78801387

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide (CID 78803750) is 2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide is CNC(=O)CN1CCN(C(=O)C(NC(C)=O)C(C)C)CC1.
What is the InChIKey of 2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide?
The InChIKey is FNBDLBUGJLSBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-10(2)13(16-11(3)19)14(21)18-7-5-17(6-8-18)9-12(20)15-4/h10,13H,5-9H2,1-4H3,(H,15,20)(H,16,19).
What are the key properties of 2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide?
2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide has a molecular weight of 298.39 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-acetamido-3-methylbutanoyl)piperazin-1-yl]-N-methylacetamide is sourced from PubChem (CID 78803750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).