tert-butyl 1-acetamidopiperidine-4-carboxylate

C12H22N2O3 — CID 67050466

IUPACtert-butyl 1-acetamidopiperidine-4-carboxylate
SMILESCC(=O)NN1CCC(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-9(15)13-14-7-5-10(6-8-14)11(16)17-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,15)
InChIKeyRZNXGCZBNYSOBQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.09
Rot. Bonds2

About tert-butyl 1-acetamidopiperidine-4-carboxylate

tert-butyl 1-acetamidopiperidine-4-carboxylate (PubChem CID 67050466) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl 1-acetamidopiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-acetamidopiperidine-4-carboxylate
PubChem CID67050466
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl 1-acetamidopiperidine-4-carboxylate
SMILESCC(=O)NN1CCC(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C12H22N2O3/c1-9(15)13-14-7-5-10(6-8-14)11(16)17-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,15)
InChIKeyRZNXGCZBNYSOBQ-UHFFFAOYSA-N
XLogP1.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 1-acetamidopiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-acetamidopiperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-acetamidopiperidine-4-carboxylate (CID 67050466) is tert-butyl 1-acetamidopiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-acetamidopiperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-acetamidopiperidine-4-carboxylate is CC(=O)NN1CCC(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 1-acetamidopiperidine-4-carboxylate?
The InChIKey is RZNXGCZBNYSOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(15)13-14-7-5-10(6-8-14)11(16)17-12(2,3)4/h10H,5-8H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl 1-acetamidopiperidine-4-carboxylate?
tert-butyl 1-acetamidopiperidine-4-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-acetamidopiperidine-4-carboxylate is sourced from PubChem (CID 67050466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).