ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

C13H24N2O4 — CID 102548857

IUPACethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCNCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-5-18-11(16)9-6-7-14-8-10(9)15-12(17)19-13(2,3)4/h9-10,14H,5-8H2,1-4H3,(H,15,17)
InChIKeyICLFKLQIHHBWQG-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.05
Rot. Bonds3

About ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate

ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate (PubChem CID 102548857) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
PubChem CID102548857
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nameethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCNCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-5-18-11(16)9-6-7-14-8-10(9)15-12(17)19-13(2,3)4/h9-10,14H,5-8H2,1-4H3,(H,15,17)
InChIKeyICLFKLQIHHBWQG-UHFFFAOYSA-N
XLogP1.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
tert-butyl N-(4-aminopiperidin-3-yl)carbamate;hydrochloride
CID 155892811
tert-butyl N-[(3R,4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118178604
tert-butyl N-[(4S)-4-hydroxypiperidin-3-yl]carbamate
CID 118297090
tert-butyl N-[(3S,4R)-4-propylpiperidin-3-yl]carbamate
CID 130763732
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
ethyl (1S,2R,4R,5S)-4,5-dihydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 102420535
tert-butyl N-[4-(methoxymethyl)piperidin-3-yl]carbamate
CID 166561133
ethyl (3S,4R)-3-methylpiperidine-4-carboxylate
CID 27282207
ethyl (3S,4S)-3-methylpiperidine-4-carboxylate
CID 27282210
tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
The IUPAC name of ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate (CID 102548857) is ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
The canonical SMILES for ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate is CCOC(=O)C1CCNCC1NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
The InChIKey is ICLFKLQIHHBWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-18-11(16)9-6-7-14-8-10(9)15-12(17)19-13(2,3)4/h9-10,14H,5-8H2,1-4H3,(H,15,17).
What are the key properties of ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate?
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate is sourced from PubChem (CID 102548857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).