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

C21H21NO — CID 10357626

IUPAC2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
SMILESO=C(Cc1ccccc1)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C21H21NO/c23-20(16-17-6-2-1-3-7-17)22-14-12-21(13-15-22)11-10-18-8-4-5-9-19(18)21/h1-11H,12-16H2
InChIKeyXOQCUPPMSJIRAZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.82
Rot. Bonds2

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

2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone (PubChem CID 10357626) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone.

Molecular Properties

Compound Name2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
PubChem CID10357626
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
SMILESO=C(Cc1ccccc1)N1CCC2(C=Cc3ccccc32)CC1
InChIInChI=1S/C21H21NO/c23-20(16-17-6-2-1-3-7-17)22-14-12-21(13-15-22)11-10-18-8-4-5-9-19(18)21/h1-11H,12-16H2
InChIKeyXOQCUPPMSJIRAZ-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The IUPAC name of 2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone (CID 10357626) is 2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone.
What is the SMILES notation for 2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The canonical SMILES for 2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone is O=C(Cc1ccccc1)N1CCC2(C=Cc3ccccc32)CC1.
What is the InChIKey of 2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
The InChIKey is XOQCUPPMSJIRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c23-20(16-17-6-2-1-3-7-17)22-14-12-21(13-15-22)11-10-18-8-4-5-9-19(18)21/h1-11H,12-16H2.
What are the key properties of 2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone?
2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone has a molecular weight of 303.41 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone is sourced from PubChem (CID 10357626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).