(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone

C26H25NO2 — CID 175091556

IUPAC(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCC2(CC1)Cc1ccccc1C2
InChIInChI=1S/C26H25NO2/c28-25(23-12-6-7-13-24(23)29-22-10-2-1-3-11-22)27-16-14-26(15-17-27)18-20-8-4-5-9-21(20)19-26/h1-13H,14-19H2
InChIKeyYORLSVAJRCJTGK-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.50
Rot. Bonds3

About (2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone

(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone (PubChem CID 175091556) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
PubChem CID175091556
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone
SMILESO=C(c1ccccc1Oc1ccccc1)N1CCC2(CC1)Cc1ccccc1C2
InChIInChI=1S/C26H25NO2/c28-25(23-12-6-7-13-24(23)29-22-10-2-1-3-11-22)27-16-14-26(15-17-27)18-20-8-4-5-9-21(20)19-26/h1-13H,14-19H2
InChIKeyYORLSVAJRCJTGK-UHFFFAOYSA-N
XLogP5.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-oxa-9-azaspiro[5.5]undecan-9-yl-(2-phenoxyphenyl)methanone
CID 91784088
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(2-phenoxyphenyl)methanone
CID 70737813
(4-methylsulfonylpiperazin-1-yl)-(2-phenoxyphenyl)methanone
CID 51252114
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-phenoxyphenyl)methanone
CID 42470095
(3R)-3-hydroxy-1-(2-phenoxybenzoyl)piperidine-3-carboxamide
CID 129485563
(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)-(2-phenoxyphenyl)methanone
CID 70716556
3-methyl-7-(2-phenoxybenzoyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 56886874
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-(2-phenoxyphenyl)methanone
CID 90537313
(2-phenoxyphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 18284551

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone (CID 175091556) is (2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone is O=C(c1ccccc1Oc1ccccc1)N1CCC2(CC1)Cc1ccccc1C2.
What is the InChIKey of (2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone?
The InChIKey is YORLSVAJRCJTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c28-25(23-12-6-7-13-24(23)29-22-10-2-1-3-11-22)27-16-14-26(15-17-27)18-20-8-4-5-9-21(20)19-26/h1-13H,14-19H2.
What are the key properties of (2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone?
(2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone has a molecular weight of 383.49 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl)-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 175091556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).