methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate

C12H22N2O4 — CID 22362314

IUPACmethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-8-5-6-9(13-7-8)10(15)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyCPWSUQBWBJYPNG-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.80
Rot. Bonds2

About methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate

methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate (PubChem CID 22362314) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
PubChem CID22362314
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate
SMILESCOC(=O)C1CCC(NC(=O)OC(C)(C)C)CN1
InChIInChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-8-5-6-9(13-7-8)10(15)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,16)
InChIKeyCPWSUQBWBJYPNG-UHFFFAOYSA-N
XLogP0.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylic acid
CID 146082538
tert-butyl N-(6-ethylpiperidin-3-yl)carbamate
CID 118142563
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23397565
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid
CID 69024931
methyl 5-tert-butylpiperidine-2-carboxylate
CID 138987475
2-[(2R,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]butanoic acid
CID 67270156
methyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 96884692
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-[3-(methoxyamino)cyclopentyl]carbamate
CID 82706407
methyl (2S)-aziridine-2-carboxylate
CID 10329257

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate?
The IUPAC name of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate (CID 22362314) is methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate?
The canonical SMILES for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate is COC(=O)C1CCC(NC(=O)OC(C)(C)C)CN1.
What is the InChIKey of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate?
The InChIKey is CPWSUQBWBJYPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-8-5-6-9(13-7-8)10(15)17-4/h8-9,13H,5-7H2,1-4H3,(H,14,16).
What are the key properties of methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate?
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-2-carboxylate is sourced from PubChem (CID 22362314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).