tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate

C28H52N2O6 — CID 146201408

IUPACtert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CC(C)(C)C2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)[C@@H](O)C(C(C)(C)C)C1
InChIInChI=1S/C28H52N2O6/c1-25(2,3)20-16-30(24(34)36-27(7,8)9)15-18(22(20)32)14-28(10,11)19-12-13-29(17-21(19)31)23(33)35-26(4,5)6/h18-22,31-32H,12-17H2,1-11H3/t18?,19?,20?,21-,22+/m0/s1
InChIKeyKWNYPBXKYRPRSU-PFNOACBWSA-N
MW512.73 g/mol
LogP4.91
Rot. Bonds3

About tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate

tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate (PubChem CID 146201408) has the molecular formula C28H52N2O6 and a molecular weight of 512.73 g/mol. Its IUPAC name is tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate
PubChem CID146201408
Molecular FormulaC28H52N2O6
Molecular Weight512.73 g/mol
Exact Mass512.38
IUPAC Nametert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CC(C)(C)C2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)[C@@H](O)C(C(C)(C)C)C1
InChIInChI=1S/C28H52N2O6/c1-25(2,3)20-16-30(24(34)36-27(7,8)9)15-18(22(20)32)14-28(10,11)19-12-13-29(17-21(19)31)23(33)35-26(4,5)6/h18-22,31-32H,12-17H2,1-11H3/t18?,19?,20?,21-,22+/m0/s1
InChIKeyKWNYPBXKYRPRSU-PFNOACBWSA-N
XLogP4.91
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.73
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-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 (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate (CID 146201408) is tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(CC(C)(C)C2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)[C@@H](O)C(C(C)(C)C)C1.
What is the InChIKey of tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate?
The InChIKey is KWNYPBXKYRPRSU-PFNOACBWSA-N. The full InChI is InChI=1S/C28H52N2O6/c1-25(2,3)20-16-30(24(34)36-27(7,8)9)15-18(22(20)32)14-28(10,11)19-12-13-29(17-21(19)31)23(33)35-26(4,5)6/h18-22,31-32H,12-17H2,1-11H3/t18?,19?,20?,21-,22+/m0/s1.
What are the key properties of tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate?
tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate has a molecular weight of 512.73 g/mol, XLogP of 4.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-3-tert-butyl-4-hydroxy-5-[2-[(3R)-3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-methylpropyl]piperidine-1-carboxylate is sourced from PubChem (CID 146201408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).