ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate

C13H24N2O3 — CID 1459285

IUPACethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-4-18-13(17)11-5-7-15(8-6-11)9-12(16)14-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyFKYHLGUUGKVIIM-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.79
Rot. Bonds5

About ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate

ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate (PubChem CID 1459285) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate
PubChem CID1459285
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nameethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NC(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-4-18-13(17)11-5-7-15(8-6-11)9-12(16)14-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKeyFKYHLGUUGKVIIM-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate (CID 1459285) is ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)NC(C)C)CC1.
What is the InChIKey of ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate?
The InChIKey is FKYHLGUUGKVIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-18-13(17)11-5-7-15(8-6-11)9-12(16)14-10(2)3/h10-11H,4-9H2,1-3H3,(H,14,16).
What are the key properties of ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate?
ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 1459285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).