tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate

C15H28N2O3 — CID 24689358

IUPACtert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-11(2)10-16-13(18)12-6-8-17(9-7-12)14(19)20-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyXPFFALLMWVBZJZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.41
Rot. Bonds3

About tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate (PubChem CID 24689358) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
PubChem CID24689358
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H28N2O3/c1-11(2)10-16-13(18)12-6-8-17(9-7-12)14(19)20-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18)
InChIKeyXPFFALLMWVBZJZ-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate (CID 24689358) is tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate is CC(C)CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is XPFFALLMWVBZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)10-16-13(18)12-6-8-17(9-7-12)14(19)20-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 24689358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).