9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

C21H28N2O3 — CID 72916747

IUPAC9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)C3CCc4ccccc43)CC2)CN1CCO
InChIInChI=1S/C21H28N2O3/c24-14-13-23-15-21(8-7-19(23)25)9-11-22(12-10-21)20(26)18-6-5-16-3-1-2-4-17(16)18/h1-4,18,24H,5-15H2
InChIKeyFSHMKBPXDYBESG-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.94
Rot. Bonds3

About 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72916747) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72916747
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(C(=O)C3CCc4ccccc43)CC2)CN1CCO
InChIInChI=1S/C21H28N2O3/c24-14-13-23-15-21(8-7-19(23)25)9-11-22(12-10-21)20(26)18-6-5-16-3-1-2-4-17(16)18/h1-4,18,24H,5-15H2
InChIKeyFSHMKBPXDYBESG-UHFFFAOYSA-N
XLogP1.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

1'-[[1-(2-Phenylethyl)piperidin-4-yl]methyl]spiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 44349614
Methanone, (2-indanyl)(4-morpholyl)-
CID 576078
1-(2-Hydroxyethyl)-5,5-diphenylpiperidin-2-one
CID 72841944
2-Ethyl-9-[2-(2-hydroxyethoxy)ethyl]-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72871448
9-[2-(2-Hydroxyethoxy)ethyl]-2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72933489
[1'-(2-Hydroxyethyl)spiro[indene-3,4'-piperidine]-1-yl]-pyrrolidin-1-ylmethanone
CID 97504217
2-(5-fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
CID 118740890
2-[4-(3-Methyl-2-phenylbutanoyl)-1-piperazinyl]ethanol hydrochloride
CID 2936787
2-allyl-9-(2,3-dihydro-1H-inden-1-ylcarbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72854422
N-(2-hydroxyethyl)-N-methyl-2-(1-piperidinyl)-2-indanecarboxamide
CID 56894870
(5R)-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 97115478
9-[(1R)-2,3-dihydro-1H-indene-1-carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97124368

Frequently Asked Questions

What is the IUPAC name of 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72916747) is 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(C(=O)C3CCc4ccccc43)CC2)CN1CCO.
What is the InChIKey of 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FSHMKBPXDYBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-14-13-23-15-21(8-7-19(23)25)9-11-22(12-10-21)20(26)18-6-5-16-3-1-2-4-17(16)18/h1-4,18,24H,5-15H2.
What are the key properties of 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 356.47 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,3-dihydro-1H-indene-1-carbonyl)-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72916747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).