2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one

C23H32N2O2 — CID 156864283

IUPAC2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
SMILESCC(C)(C)c1ccc(C2CCN(C(=O)C3CC4(CCC(=O)N4)C3)CC2)cc1
InChIInChI=1S/C23H32N2O2/c1-22(2,3)19-6-4-16(5-7-19)17-9-12-25(13-10-17)21(27)18-14-23(15-18)11-8-20(26)24-23/h4-7,17-18H,8-15H2,1-3H3,(H,24,26)
InChIKeyPIHWVVPRQPDRHE-UHFFFAOYSA-N
MW368.52 g/mol
LogP3.75
Rot. Bonds2

About 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one

2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one (PubChem CID 156864283) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
PubChem CID156864283
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one
SMILESCC(C)(C)c1ccc(C2CCN(C(=O)C3CC4(CCC(=O)N4)C3)CC2)cc1
InChIInChI=1S/C23H32N2O2/c1-22(2,3)19-6-4-16(5-7-19)17-9-12-25(13-10-17)21(27)18-14-23(15-18)11-8-20(26)24-23/h4-7,17-18H,8-15H2,1-3H3,(H,24,26)
InChIKeyPIHWVVPRQPDRHE-UHFFFAOYSA-N
XLogP3.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one 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 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
The IUPAC name of 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one (CID 156864283) is 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one is CC(C)(C)c1ccc(C2CCN(C(=O)C3CC4(CCC(=O)N4)C3)CC2)cc1.
What is the InChIKey of 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
The InChIKey is PIHWVVPRQPDRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-22(2,3)19-6-4-16(5-7-19)17-9-12-25(13-10-17)21(27)18-14-23(15-18)11-8-20(26)24-23/h4-7,17-18H,8-15H2,1-3H3,(H,24,26).
What are the key properties of 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one?
2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one has a molecular weight of 368.52 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylphenyl)piperidine-1-carbonyl]-5-azaspiro[3.4]octan-6-one is sourced from PubChem (CID 156864283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).