tert-butyl 3-carbamoylpiperidine-1-carboxylate

C11H20N2O3 — CID 14661895

IUPACtert-butyl 3-carbamoylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(7-13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)
InChIKeyAPFUDGDIIFSTSD-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.12
Rot. Bonds1

About tert-butyl 3-carbamoylpiperidine-1-carboxylate

tert-butyl 3-carbamoylpiperidine-1-carboxylate (PubChem CID 14661895) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl 3-carbamoylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-carbamoylpiperidine-1-carboxylate
PubChem CID14661895
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl 3-carbamoylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(7-13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14)
InChIKeyAPFUDGDIIFSTSD-UHFFFAOYSA-N
XLogP1.12
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-carbamoylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-carbamoylpiperidine-1-carboxylate (CID 14661895) is tert-butyl 3-carbamoylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-carbamoylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-carbamoylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of tert-butyl 3-carbamoylpiperidine-1-carboxylate?
The InChIKey is APFUDGDIIFSTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-5-8(7-13)9(12)14/h8H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of tert-butyl 3-carbamoylpiperidine-1-carboxylate?
tert-butyl 3-carbamoylpiperidine-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-carbamoylpiperidine-1-carboxylate is sourced from PubChem (CID 14661895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).