tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate

C17H31N3O4 — CID 91991925

IUPACtert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(C)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H31N3O4/c1-11(2)18-14(21)13-9-7-8-10-20(13)15(22)12(3)19-16(23)24-17(4,5)6/h11-13H,7-10H2,1-6H3,(H,18,21)(H,19,23)/t12-,13+/m1/s1
InChIKeyJDAMGNPVMXUYLJ-OLZOCXBDSA-N
MW341.45 g/mol
LogP1.81
Rot. Bonds4

About tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate

tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate (PubChem CID 91991925) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate
PubChem CID91991925
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Nametert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate
SMILESCC(C)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H31N3O4/c1-11(2)18-14(21)13-9-7-8-10-20(13)15(22)12(3)19-16(23)24-17(4,5)6/h11-13H,7-10H2,1-6H3,(H,18,21)(H,19,23)/t12-,13+/m1/s1
InChIKeyJDAMGNPVMXUYLJ-OLZOCXBDSA-N
XLogP1.81
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate 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 N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate (CID 91991925) is tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate is CC(C)NC(=O)[C@@H]1CCCCN1C(=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate?
The InChIKey is JDAMGNPVMXUYLJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-11(2)18-14(21)13-9-7-8-10-20(13)15(22)12(3)19-16(23)24-17(4,5)6/h11-13H,7-10H2,1-6H3,(H,18,21)(H,19,23)/t12-,13+/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate?
tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate has a molecular weight of 341.45 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-oxo-1-[(2S)-2-(propan-2-ylcarbamoyl)piperidin-1-yl]propan-2-yl]carbamate is sourced from PubChem (CID 91991925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).