2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone

C23H31NO — CID 10315031

IUPAC2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
SMILESO=C(CC1CCCCCCC1)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C23H31NO/c25-22(18-19-8-4-2-1-3-5-9-19)24-16-14-23(15-17-24)13-12-20-10-6-7-11-21(20)23/h6-7,10-13,19H,1-5,8-9,14-18H2
InChIKeySKYLOCVKTGZMKA-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.32
Rot. Bonds2

About 2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone

2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone (PubChem CID 10315031) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Name2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
PubChem CID10315031
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
SMILESO=C(CC1CCCCCCC1)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C23H31NO/c25-22(18-19-8-4-2-1-3-5-9-19)24-16-14-23(15-17-24)13-12-20-10-6-7-11-21(20)23/h6-7,10-13,19H,1-5,8-9,14-18H2
InChIKeySKYLOCVKTGZMKA-UHFFFAOYSA-N
XLogP5.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone 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-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The IUPAC name of 2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone (CID 10315031) is 2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for 2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The canonical SMILES for 2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone is O=C(CC1CCCCCCC1)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The InChIKey is SKYLOCVKTGZMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c25-22(18-19-8-4-2-1-3-5-9-19)24-16-14-23(15-17-24)13-12-20-10-6-7-11-21(20)23/h6-7,10-13,19H,1-5,8-9,14-18H2.
What are the key properties of 2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone has a molecular weight of 337.51 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 10315031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).