tert-butyl 4-formamidopiperidine-1-carboxylate

C11H20N2O3 — CID 87225995

IUPACtert-butyl 4-formamidopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC=O)CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-9(5-7-13)12-8-14/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyXCSZRVCKFQYCTK-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.13
Rot. Bonds2

About tert-butyl 4-formamidopiperidine-1-carboxylate

tert-butyl 4-formamidopiperidine-1-carboxylate (PubChem CID 87225995) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is tert-butyl 4-formamidopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-formamidopiperidine-1-carboxylate
PubChem CID87225995
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Nametert-butyl 4-formamidopiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC=O)CC1
InChIInChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-9(5-7-13)12-8-14/h8-9H,4-7H2,1-3H3,(H,12,14)
InChIKeyXCSZRVCKFQYCTK-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-formamidopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-formamidopiperidine-1-carboxylate (CID 87225995) is tert-butyl 4-formamidopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-formamidopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-formamidopiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC=O)CC1.
What is the InChIKey of tert-butyl 4-formamidopiperidine-1-carboxylate?
The InChIKey is XCSZRVCKFQYCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,3)16-10(15)13-6-4-9(5-7-13)12-8-14/h8-9H,4-7H2,1-3H3,(H,12,14).
What are the key properties of tert-butyl 4-formamidopiperidine-1-carboxylate?
tert-butyl 4-formamidopiperidine-1-carboxylate has a molecular weight of 228.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-formamidopiperidine-1-carboxylate is sourced from PubChem (CID 87225995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).