ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate

C15H28N2O3 — CID 60673370

IUPACethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NC(C)(C)CC)CC1
InChIInChI=1S/C15H28N2O3/c1-5-15(3,4)16-13(18)11-17-9-7-12(8-10-17)14(19)20-6-2/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyPURRTIGXPZVUCL-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.57
Rot. Bonds6

About ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 60673370) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
PubChem CID60673370
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)NC(C)(C)CC)CC1
InChIInChI=1S/C15H28N2O3/c1-5-15(3,4)16-13(18)11-17-9-7-12(8-10-17)14(19)20-6-2/h12H,5-11H2,1-4H3,(H,16,18)
InChIKeyPURRTIGXPZVUCL-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 60672509
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide;hydrochloride
CID 119928203
2-(4-formylpiperidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62655401
ethyl 1-[2-(butylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837933
ethyl 1-[2-(ethylcarbamoylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 27152328
ethyl 1-(3,3,3-trifluoropropyl)piperidine-4-carboxylate
CID 59334005
2-(3-hydroxypyrrolidin-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 62918018
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-(2-hydroxy-2-methylpropyl)piperidine-4-carboxylate
CID 60886735
ethyl 1-[2-(3-methoxypropylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 54837907
ethyl 1-[2-(2-cyanoethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 34681202

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate (CID 60673370) is ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)NC(C)(C)CC)CC1.
What is the InChIKey of ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is PURRTIGXPZVUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-15(3,4)16-13(18)11-17-9-7-12(8-10-17)14(19)20-6-2/h12H,5-11H2,1-4H3,(H,16,18).
What are the key properties of ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 60673370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).