tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate

C17H30N2O3 — CID 73056648

IUPACtert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate
SMILESCC[C@H]1C(=O)N(C(=O)OC(C)(C)C)CC[C@@H]1N1CCCCC1
InChIInChI=1S/C17H30N2O3/c1-5-13-14(18-10-7-6-8-11-18)9-12-19(15(13)20)16(21)22-17(2,3)4/h13-14H,5-12H2,1-4H3/t13-,14+/m1/s1
InChIKeyWBQQMESFBRDEAM-KGLIPLIRSA-N
MW310.44 g/mol
LogP3.03
Rot. Bonds2

About tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate

tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate (PubChem CID 73056648) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate
PubChem CID73056648
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate
SMILESCC[C@H]1C(=O)N(C(=O)OC(C)(C)C)CC[C@@H]1N1CCCCC1
InChIInChI=1S/C17H30N2O3/c1-5-13-14(18-10-7-6-8-11-18)9-12-19(15(13)20)16(21)22-17(2,3)4/h13-14H,5-12H2,1-4H3/t13-,14+/m1/s1
InChIKeyWBQQMESFBRDEAM-KGLIPLIRSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-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 (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate (CID 73056648) is tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate is CC[C@H]1C(=O)N(C(=O)OC(C)(C)C)CC[C@@H]1N1CCCCC1.
What is the InChIKey of tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate?
The InChIKey is WBQQMESFBRDEAM-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-5-13-14(18-10-7-6-8-11-18)9-12-19(15(13)20)16(21)22-17(2,3)4/h13-14H,5-12H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate?
tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,4S)-3-ethyl-2-oxo-4-piperidin-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 73056648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).