methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate

C19H33N3O4 — CID 53057881

IUPACmethyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate
SMILESCOC(=O)C(NC(=O)N1CCC(CC(=O)N2CCCCC2)CC1)C(C)C
InChIInChI=1S/C19H33N3O4/c1-14(2)17(18(24)26-3)20-19(25)22-11-7-15(8-12-22)13-16(23)21-9-5-4-6-10-21/h14-15,17H,4-13H2,1-3H3,(H,20,25)
InChIKeySBJAGZQAESQQQT-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.01
Rot. Bonds5

About methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate

methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate (PubChem CID 53057881) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate
PubChem CID53057881
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Namemethyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate
SMILESCOC(=O)C(NC(=O)N1CCC(CC(=O)N2CCCCC2)CC1)C(C)C
InChIInChI=1S/C19H33N3O4/c1-14(2)17(18(24)26-3)20-19(25)22-11-7-15(8-12-22)13-16(23)21-9-5-4-6-10-21/h14-15,17H,4-13H2,1-3H3,(H,20,25)
InChIKeySBJAGZQAESQQQT-UHFFFAOYSA-N
XLogP2.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate 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 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate (CID 53057881) is methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate is COC(=O)C(NC(=O)N1CCC(CC(=O)N2CCCCC2)CC1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate?
The InChIKey is SBJAGZQAESQQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-14(2)17(18(24)26-3)20-19(25)22-11-7-15(8-12-22)13-16(23)21-9-5-4-6-10-21/h14-15,17H,4-13H2,1-3H3,(H,20,25).
What are the key properties of methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate?
methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate has a molecular weight of 367.49 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[[4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carbonyl]amino]butanoate is sourced from PubChem (CID 53057881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).