methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate

C12H22N2O3 — CID 10514312

IUPACmethyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate
SMILESCOC(=O)CCC(=O)NCCC1CCNCC1
InChIInChI=1S/C12H22N2O3/c1-17-12(16)3-2-11(15)14-9-6-10-4-7-13-8-5-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyDLLNLFBVISJIMM-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.45
Rot. Bonds6

About methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate

methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate (PubChem CID 10514312) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate
PubChem CID10514312
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate
SMILESCOC(=O)CCC(=O)NCCC1CCNCC1
InChIInChI=1S/C12H22N2O3/c1-17-12(16)3-2-11(15)14-9-6-10-4-7-13-8-5-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyDLLNLFBVISJIMM-UHFFFAOYSA-N
XLogP0.45
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate?
The IUPAC name of methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate (CID 10514312) is methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate.
What is the SMILES notation for methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate?
The canonical SMILES for methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate is COC(=O)CCC(=O)NCCC1CCNCC1.
What is the InChIKey of methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate?
The InChIKey is DLLNLFBVISJIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-17-12(16)3-2-11(15)14-9-6-10-4-7-13-8-5-10/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate?
methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate has a molecular weight of 242.32 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-4-(2-piperidin-4-ylethylamino)butanoate is sourced from PubChem (CID 10514312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).