ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate

C14H24N2O5 — CID 23565296

IUPACethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24N2O5/c1-5-20-12(18)11(17)16-8-6-10(7-9-16)15-13(19)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,19)
InChIKeyWOORRRZHOJXBFQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.07
Rot. Bonds2

About ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate

ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate (PubChem CID 23565296) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
PubChem CID23565296
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Nameethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
SMILESCCOC(=O)C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24N2O5/c1-5-20-12(18)11(17)16-8-6-10(7-9-16)15-13(19)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,19)
InChIKeyWOORRRZHOJXBFQ-UHFFFAOYSA-N
XLogP1.07
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
ethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylcarbamoylamino]piperidine-1-carboxylate
CID 108864537
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutylidene]butanoate
CID 153328584
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
ethyl 4-[[N'-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111044619
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
ethyl 2-(4-aminopiperidin-1-yl)-2-oxoacetate
CID 61403502

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate?
The IUPAC name of ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate (CID 23565296) is ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate?
The canonical SMILES for ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate is CCOC(=O)C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate?
The InChIKey is WOORRRZHOJXBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-5-20-12(18)11(17)16-8-6-10(7-9-16)15-13(19)21-14(2,3)4/h10H,5-9H2,1-4H3,(H,15,19).
What are the key properties of ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate?
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate has a molecular weight of 300.36 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate is sourced from PubChem (CID 23565296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).