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

C12H20N2O4 — CID 110712317

IUPACmethyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate
SMILESCOC(=O)CCC(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C12H20N2O4/c1-18-12(17)6-5-10(15)13-9-11(16)14-7-3-2-4-8-14/h2-9H2,1H3,(H,13,15)
InChIKeyRASBVNIDSHMIDB-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.07
Rot. Bonds5

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

methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate (PubChem CID 110712317) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate
PubChem CID110712317
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namemethyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate
SMILESCOC(=O)CCC(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C12H20N2O4/c1-18-12(17)6-5-10(15)13-9-11(16)14-7-3-2-4-8-14/h2-9H2,1H3,(H,13,15)
InChIKeyRASBVNIDSHMIDB-UHFFFAOYSA-N
XLogP0.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate with MolForge

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Related Compounds

N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
4-chloro-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 82109147
N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide
CID 113281833
ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate
CID 115583830
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
6-amino-N-(2-oxo-2-piperidin-1-ylethyl)hexanamide
CID 112687717
7-amino-N-(2-oxo-2-piperidin-1-ylethyl)heptanamide
CID 115597328
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358
methyl 4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-4-oxobutanoate
CID 110796986
methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
CID 62011095
methyl 4-[4-(3-methylbutanoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817694
methyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62955381

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate?
The IUPAC name of methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate (CID 110712317) is methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate.
What is the SMILES notation for methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate?
The canonical SMILES for methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate is COC(=O)CCC(=O)NCC(=O)N1CCCCC1.
What is the InChIKey of methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate?
The InChIKey is RASBVNIDSHMIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-18-12(17)6-5-10(15)13-9-11(16)14-7-3-2-4-8-14/h2-9H2,1H3,(H,13,15).
What are the key properties of methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate?
methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate has a molecular weight of 256.30 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate is sourced from PubChem (CID 110712317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).