[methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate

C16H27N3O5 — CID 163849011

IUPAC[methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate
SMILESCC1CCCC(C)N1CC(=O)NCC(=O)ON(C)C(=O)CCC=O
InChIInChI=1S/C16H27N3O5/c1-12-6-4-7-13(2)19(12)11-14(21)17-10-16(23)24-18(3)15(22)8-5-9-20/h9,12-13H,4-8,10-11H2,1-3H3,(H,17,21)
InChIKeyOSRYRPGPHJBKQD-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.26
Rot. Bonds7

About [methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate

[methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate (PubChem CID 163849011) has the molecular formula C16H27N3O5 and a molecular weight of 341.41 g/mol. Its IUPAC name is [methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Name[methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate
PubChem CID163849011
Molecular FormulaC16H27N3O5
Molecular Weight341.41 g/mol
Exact Mass341.20
IUPAC Name[methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate
SMILESCC1CCCC(C)N1CC(=O)NCC(=O)ON(C)C(=O)CCC=O
InChIInChI=1S/C16H27N3O5/c1-12-6-4-7-13(2)19(12)11-14(21)17-10-16(23)24-18(3)15(22)8-5-9-20/h9,12-13H,4-8,10-11H2,1-3H3,(H,17,21)
InChIKeyOSRYRPGPHJBKQD-UHFFFAOYSA-N
XLogP0.26
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate?
The IUPAC name of [methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate (CID 163849011) is [methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for [methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for [methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate is CC1CCCC(C)N1CC(=O)NCC(=O)ON(C)C(=O)CCC=O.
What is the InChIKey of [methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate?
The InChIKey is OSRYRPGPHJBKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5/c1-12-6-4-7-13(2)19(12)11-14(21)17-10-16(23)24-18(3)15(22)8-5-9-20/h9,12-13H,4-8,10-11H2,1-3H3,(H,17,21).
What are the key properties of [methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate?
[methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate has a molecular weight of 341.41 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 163849011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).