N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C23H32N2O — CID 70957798

IUPACN-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)NC1CC2(CCN(C3CC4CCC3CC4)CC2)c2ccccc21
InChIInChI=1S/C23H32N2O/c1-16(26)24-21-15-23(20-5-3-2-4-19(20)21)10-12-25(13-11-23)22-14-17-6-8-18(22)9-7-17/h2-5,17-18,21-22H,6-15H2,1H3,(H,24,26)
InChIKeyMZCYEZCPONLNIP-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.18
Rot. Bonds2

About N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 70957798) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

Compound NameN-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
PubChem CID70957798
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
SMILESCC(=O)NC1CC2(CCN(C3CC4CCC3CC4)CC2)c2ccccc21
InChIInChI=1S/C23H32N2O/c1-16(26)24-21-15-23(20-5-3-2-4-19(20)21)10-12-25(13-11-23)22-14-17-6-8-18(22)9-7-17/h2-5,17-18,21-22H,6-15H2,1H3,(H,24,26)
InChIKeyMZCYEZCPONLNIP-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The IUPAC name of N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 70957798) is N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.
What is the SMILES notation for N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The canonical SMILES for N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is CC(=O)NC1CC2(CCN(C3CC4CCC3CC4)CC2)c2ccccc21.
What is the InChIKey of N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
The InChIKey is MZCYEZCPONLNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-16(26)24-21-15-23(20-5-3-2-4-19(20)21)10-12-25(13-11-23)22-14-17-6-8-18(22)9-7-17/h2-5,17-18,21-22H,6-15H2,1H3,(H,24,26).
What are the key properties of N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?
N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 352.52 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1'-(2-bicyclo[2.2.2]octanyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 70957798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).