tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

C56H82N4O6 — CID 175777426

IUPACtert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC[C@@H](N3CCC(c4ccccc4C4=CCOCC4)CC3)C2)C1.CC(C)(C)OC(=O)N1CC2(CC[C@@H](N3CCC(c4ccccc4C4CCOCC4)CC3)C2)C1
InChIInChI=1S/C28H42N2O3.C28H40N2O3/c2*1-27(2,3)33-26(31)30-19-28(20-30)13-8-23(18-28)29-14-9-21(10-15-29)24-6-4-5-7-25(24)22-11-16-32-17-12-22/h4-7,21-23H,8-20H2,1-3H3;4-7,11,21,23H,8-10,12-20H2,1-3H3/t2*23-/m11/s1
InChIKeyWHFWDQXIJDAIOZ-RFAQQLIWSA-N
MW907.29 g/mol
LogP11.01
Rot. Bonds6

About tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 175777426) has the molecular formula C56H82N4O6 and a molecular weight of 907.29 g/mol. Its IUPAC name is tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
PubChem CID175777426
Molecular FormulaC56H82N4O6
Molecular Weight907.29 g/mol
Exact Mass906.62
IUPAC Nametert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CC[C@@H](N3CCC(c4ccccc4C4=CCOCC4)CC3)C2)C1.CC(C)(C)OC(=O)N1CC2(CC[C@@H](N3CCC(c4ccccc4C4CCOCC4)CC3)C2)C1
InChIInChI=1S/C28H42N2O3.C28H40N2O3/c2*1-27(2,3)33-26(31)30-19-28(20-30)13-8-23(18-28)29-14-9-21(10-15-29)24-6-4-5-7-25(24)22-11-16-32-17-12-22/h4-7,21-23H,8-20H2,1-3H3;4-7,11,21,23H,8-10,12-20H2,1-3H3/t2*23-/m11/s1
InChIKeyWHFWDQXIJDAIOZ-RFAQQLIWSA-N
XLogP11.01
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.29
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-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 (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?
The IUPAC name of tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (CID 175777426) is tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CC[C@@H](N3CCC(c4ccccc4C4=CCOCC4)CC3)C2)C1.CC(C)(C)OC(=O)N1CC2(CC[C@@H](N3CCC(c4ccccc4C4CCOCC4)CC3)C2)C1.
What is the InChIKey of tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?
The InChIKey is WHFWDQXIJDAIOZ-RFAQQLIWSA-N. The full InChI is InChI=1S/C28H42N2O3.C28H40N2O3/c2*1-27(2,3)33-26(31)30-19-28(20-30)13-8-23(18-28)29-14-9-21(10-15-29)24-6-4-5-7-25(24)22-11-16-32-17-12-22/h4-7,21-23H,8-20H2,1-3H3;4-7,11,21,23H,8-10,12-20H2,1-3H3/t2*23-/m11/s1.
What are the key properties of tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?
tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 907.29 g/mol, XLogP of 11.01, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6R)-6-[4-[2-(3,6-dihydro-2H-pyran-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate;tert-butyl (6R)-6-[4-[2-(oxan-4-yl)phenyl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 175777426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).