[(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate

C13H24N2O4 — CID 175395420

IUPAC[(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate
SMILESCCN1CCC(C(=O)ONC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-5-15-8-6-10(7-9-15)11(16)19-14-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyNGWCTCGXZDOEFW-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.70
Rot. Bonds2

About [(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate

[(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate (PubChem CID 175395420) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is [(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate
PubChem CID175395420
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name[(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate
SMILESCCN1CCC(C(=O)ONC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-5-15-8-6-10(7-9-15)11(16)19-14-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17)
InChIKeyNGWCTCGXZDOEFW-UHFFFAOYSA-N
XLogP1.70
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate?
The IUPAC name of [(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate (CID 175395420) is [(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate.
What is the SMILES notation for [(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate?
The canonical SMILES for [(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate is CCN1CCC(C(=O)ONC(=O)OC(C)(C)C)CC1.
What is the InChIKey of [(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate?
The InChIKey is NGWCTCGXZDOEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-15-8-6-10(7-9-15)11(16)19-14-12(17)18-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,17).
What are the key properties of [(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate?
[(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylpropan-2-yl)oxycarbonylamino] 1-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 175395420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).