1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one

C20H21NO — CID 10613541

IUPAC1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
SMILESO=C1c2ccccc2CC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H21NO/c22-19-18-9-5-4-8-17(18)14-20(19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyROMKXPDOTZZBSQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.71
Rot. Bonds2

About 1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one

1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one (PubChem CID 10613541) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
PubChem CID10613541
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one
SMILESO=C1c2ccccc2CC12CCN(Cc1ccccc1)CC2
InChIInChI=1S/C20H21NO/c22-19-18-9-5-4-8-17(18)14-20(19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2
InChIKeyROMKXPDOTZZBSQ-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1'-benzyl-5-methylspiro[3H-indene-2,4'-piperidine]-1-one
CID 146485816
(NZ)-N-(1'-benzylspiro[3H-indene-2,4'-piperidine]-1-ylidene)hydroxylamine
CID 135369336
2-[(1-benzylpiperidin-4-yl)methyl]-2-fluoro-3H-inden-1-one
CID 10149941
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
8-benzyl-2-methyl-2,8-diazaspiro[4.5]decane-1,3-dione;dihydrochloride
CID 121005441
9-benzyl-2,9-diazaspiro[5.5]undecan-1-one
CID 118960394
(NE)-N-(1'-benzylspiro[2H-indene-3,4'-piperidine]-1-ylidene)hydroxylamine
CID 123311367
(3S,3'S)-1'-benzyl-3'-phenylmethoxyspiro[2,4-dihydroisoquinoline-3,4'-piperidine]-1-one
CID 156793456
1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]
CID 12706476
(3S)-1'-benzylspiro[4,5-dihydro-2H-2-benzazepine-3,3'-pyrrolidine]-1-one
CID 92574801
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1'-methylspiro[3,4-dihydronaphthalene-2,4'-piperidine]-1-one
CID 10263215

Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one?
The IUPAC name of 1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one (CID 10613541) is 1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one.
What is the SMILES notation for 1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one?
The canonical SMILES for 1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one is O=C1c2ccccc2CC12CCN(Cc1ccccc1)CC2.
What is the InChIKey of 1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one?
The InChIKey is ROMKXPDOTZZBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c22-19-18-9-5-4-8-17(18)14-20(19)10-12-21(13-11-20)15-16-6-2-1-3-7-16/h1-9H,10-15H2.
What are the key properties of 1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one?
1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one has a molecular weight of 291.39 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[3H-indene-2,4'-piperidine]-1-one is sourced from PubChem (CID 10613541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).