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

C12H21N3O5 — CID 87325607

IUPAC[(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NOC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H21N3O5/c1-12(2,3)19-10(17)14-20-11(18)15-6-4-8(5-7-15)9(13)16/h8H,4-7H2,1-3H3,(H2,13,16)(H,14,17)
InChIKeyNVUWACKTWHIOCF-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.76
Rot. Bonds1

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

[(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate (PubChem CID 87325607) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is [(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate.

Molecular Properties

Compound Name[(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate
PubChem CID87325607
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name[(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)NOC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H21N3O5/c1-12(2,3)19-10(17)14-20-11(18)15-6-4-8(5-7-15)9(13)16/h8H,4-7H2,1-3H3,(H2,13,16)(H,14,17)
InChIKeyNVUWACKTWHIOCF-UHFFFAOYSA-N
XLogP0.76
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
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] 4-carbamoylpiperidine-1-carboxylate?
The IUPAC name of [(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate (CID 87325607) is [(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate.
What is the SMILES notation for [(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate?
The canonical SMILES for [(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate is CC(C)(C)OC(=O)NOC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of [(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate?
The InChIKey is NVUWACKTWHIOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-12(2,3)19-10(17)14-20-11(18)15-6-4-8(5-7-15)9(13)16/h8H,4-7H2,1-3H3,(H2,13,16)(H,14,17).
What are the key properties of [(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate?
[(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-methylpropan-2-yl)oxycarbonylamino] 4-carbamoylpiperidine-1-carboxylate is sourced from PubChem (CID 87325607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).