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

C13H16N2O — CID 143857081

IUPAC4-aminospiro[2H-indene-3,4'-piperidine]-1-one
SMILESNc1cccc2c1C1(CCNCC1)CC2=O
InChIInChI=1S/C13H16N2O/c14-10-3-1-2-9-11(16)8-13(12(9)10)4-6-15-7-5-13/h1-3,15H,4-8,14H2
InChIKeyQHGYSPPZKSHEJF-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.48
Rot. Bonds

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

4-aminospiro[2H-indene-3,4'-piperidine]-1-one (PubChem CID 143857081) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-aminospiro[2H-indene-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name4-aminospiro[2H-indene-3,4'-piperidine]-1-one
PubChem CID143857081
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-aminospiro[2H-indene-3,4'-piperidine]-1-one
SMILESNc1cccc2c1C1(CCNCC1)CC2=O
InChIInChI=1S/C13H16N2O/c14-10-3-1-2-9-11(16)8-13(12(9)10)4-6-15-7-5-13/h1-3,15H,4-8,14H2
InChIKeyQHGYSPPZKSHEJF-UHFFFAOYSA-N
XLogP1.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

spiro[2H-indene-3,4'-piperidine]-1-one;hydrochloride
CID 18673582
1,1-dioxospiro[3H-thiochromene-2,4'-piperidine]-4-one
CID 59674661
spiro[3H-chromene-2,4'-azepane]-4-one
CID 59312111
4,7-dimethylspiro[2H-indene-3,1'-cyclobutane]-1-one
CID 118319054
spiro[4H-isochromene-3,4'-piperidine]-1-one;hydrochloride
CID 12704137
7-bromo-3-oxospiro[2H-indene-1,4'-piperidine]-1'-carboxylic acid
CID 67224324
2-[(2-aminophenyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 45074352
4-(2-aminophenyl)piperidine-4-carbaldehyde
CID 88578816
8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 24715101
spiro[3H-naphthalene-4,4'-piperidine]-1-carboxylic acid
CID 59600606
(3Z)-7-bromo-3-propylidenespiro[2H-indene-1,4'-piperidine]
CID 58137278
5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one
CID 134828373

Frequently Asked Questions

What is the IUPAC name of 4-aminospiro[2H-indene-3,4'-piperidine]-1-one?
The IUPAC name of 4-aminospiro[2H-indene-3,4'-piperidine]-1-one (CID 143857081) is 4-aminospiro[2H-indene-3,4'-piperidine]-1-one.
What is the SMILES notation for 4-aminospiro[2H-indene-3,4'-piperidine]-1-one?
The canonical SMILES for 4-aminospiro[2H-indene-3,4'-piperidine]-1-one is Nc1cccc2c1C1(CCNCC1)CC2=O.
What is the InChIKey of 4-aminospiro[2H-indene-3,4'-piperidine]-1-one?
The InChIKey is QHGYSPPZKSHEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c14-10-3-1-2-9-11(16)8-13(12(9)10)4-6-15-7-5-13/h1-3,15H,4-8,14H2.
What are the key properties of 4-aminospiro[2H-indene-3,4'-piperidine]-1-one?
4-aminospiro[2H-indene-3,4'-piperidine]-1-one has a molecular weight of 216.28 g/mol, XLogP of 1.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminospiro[2H-indene-3,4'-piperidine]-1-one is sourced from PubChem (CID 143857081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).