(8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one

C23H32N2O3 — CID 156864446

IUPAC(8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESC[C@H]1OC(=O)NC12CC(C(=O)N1CCC(c3ccc(C(C)(C)C)cc3)CC1)C2
InChIInChI=1S/C23H32N2O3/c1-15-23(24-21(27)28-15)13-18(14-23)20(26)25-11-9-17(10-12-25)16-5-7-19(8-6-16)22(2,3)4/h5-8,15,17-18H,9-14H2,1-4H3,(H,24,27)/t15-,18?,23?/m1/s1
InChIKeyGBZPROPUEAVJED-ZYDMAUNPSA-N
MW384.52 g/mol
LogP3.97
Rot. Bonds2

About (8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one

(8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one (PubChem CID 156864446) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is (8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name(8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one
PubChem CID156864446
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name(8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one
SMILESC[C@H]1OC(=O)NC12CC(C(=O)N1CCC(c3ccc(C(C)(C)C)cc3)CC1)C2
InChIInChI=1S/C23H32N2O3/c1-15-23(24-21(27)28-15)13-18(14-23)20(26)25-11-9-17(10-12-25)16-5-7-19(8-6-16)22(2,3)4/h5-8,15,17-18H,9-14H2,1-4H3,(H,24,27)/t15-,18?,23?/m1/s1
InChIKeyGBZPROPUEAVJED-ZYDMAUNPSA-N
XLogP3.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one?
The IUPAC name of (8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one (CID 156864446) is (8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for (8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for (8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one is C[C@H]1OC(=O)NC12CC(C(=O)N1CCC(c3ccc(C(C)(C)C)cc3)CC1)C2.
What is the InChIKey of (8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one?
The InChIKey is GBZPROPUEAVJED-ZYDMAUNPSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-15-23(24-21(27)28-15)13-18(14-23)20(26)25-11-9-17(10-12-25)16-5-7-19(8-6-16)22(2,3)4/h5-8,15,17-18H,9-14H2,1-4H3,(H,24,27)/t15-,18?,23?/m1/s1.
What are the key properties of (8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one?
(8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one has a molecular weight of 384.52 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-8-methyl-7-oxa-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 156864446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).