ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate

C14H26N2O3 — CID 116538244

IUPACethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate
SMILESCCOC(=O)C(C(=O)NN1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-5-19-13(18)11(14(2,3)4)12(17)15-16-9-7-6-8-10-16/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyUMNFCBMWNFQIEA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.73
Rot. Bonds4

About ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate

ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate (PubChem CID 116538244) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate.

Molecular Properties

Compound Nameethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate
PubChem CID116538244
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate
SMILESCCOC(=O)C(C(=O)NN1CCCCC1)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-5-19-13(18)11(14(2,3)4)12(17)15-16-9-7-6-8-10-16/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyUMNFCBMWNFQIEA-UHFFFAOYSA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate?
The IUPAC name of ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate (CID 116538244) is ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate.
What is the SMILES notation for ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate?
The canonical SMILES for ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate is CCOC(=O)C(C(=O)NN1CCCCC1)C(C)(C)C.
What is the InChIKey of ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate?
The InChIKey is UMNFCBMWNFQIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-19-13(18)11(14(2,3)4)12(17)15-16-9-7-6-8-10-16/h11H,5-10H2,1-4H3,(H,15,17).
What are the key properties of ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate?
ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate has a molecular weight of 270.37 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3-dimethyl-2-(piperidin-1-ylcarbamoyl)butanoate is sourced from PubChem (CID 116538244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).