1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one

C16H20INO2 — CID 14896391

IUPAC1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one
SMILESCC1(C)c2ccc(I)cc2C(N2CCCCC2=O)C1O
InChIInChI=1S/C16H20INO2/c1-16(2)12-7-6-10(17)9-11(12)14(15(16)20)18-8-4-3-5-13(18)19/h6-7,9,14-15,20H,3-5,8H2,1-2H3
InChIKeyKZNPYBVYVFWXRZ-UHFFFAOYSA-N
MW385.25 g/mol
LogP3.00
Rot. Bonds1

About 1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one

1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one (PubChem CID 14896391) has the molecular formula C16H20INO2 and a molecular weight of 385.25 g/mol. Its IUPAC name is 1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one
PubChem CID14896391
Molecular FormulaC16H20INO2
Molecular Weight385.25 g/mol
Exact Mass385.05
IUPAC Name1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one
SMILESCC1(C)c2ccc(I)cc2C(N2CCCCC2=O)C1O
InChIInChI=1S/C16H20INO2/c1-16(2)12-7-6-10(17)9-11(12)14(15(16)20)18-8-4-3-5-13(18)19/h6-7,9,14-15,20H,3-5,8H2,1-2H3
InChIKeyKZNPYBVYVFWXRZ-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1R,2R)-2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl]piperidin-2-one
CID 44383633
(2R,3R)-2-hydroxy-1,1-dimethyl-3-(2-oxopiperidin-1-yl)-2,3-dihydroindene-5-carbonitrile
CID 44384032
1-[(1R,2R)-6-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl]piperidin-2-one
CID 44382837
1-[(1R,2R)-6-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl]pyridin-2-one
CID 44383872
1-[(1R,2R)-5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl]piperidin-2-one
CID 44382863
1-[(1R,2R)-2-hydroxy-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroinden-1-yl]piperidin-2-one
CID 44382883
(1R,2R)-2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile
CID 44383865
1-(5-Ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one
CID 14896395
N-{2-[(2R*,3R*)-3-amino-2-hydroxy-2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-yl]-2-oxoethyl}-2-methylpropanamide
CID 56892723
N-[rel-(2R,3R)-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-3-methylbutanamide hydrochloride
CID 70755933
2-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-2-azaspiro[4.4]nonan-3-one
CID 28465119
N-[(2R*,3R*)-1'-isobutyl-2-methoxy-2,3-dihydrospiro[indene-1,4'-piperidin]-3-yl]-2-methylpropanamide
CID 42168622

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one?
The IUPAC name of 1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one (CID 14896391) is 1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one.
What is the SMILES notation for 1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one?
The canonical SMILES for 1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one is CC1(C)c2ccc(I)cc2C(N2CCCCC2=O)C1O.
What is the InChIKey of 1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one?
The InChIKey is KZNPYBVYVFWXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20INO2/c1-16(2)12-7-6-10(17)9-11(12)14(15(16)20)18-8-4-3-5-13(18)19/h6-7,9,14-15,20H,3-5,8H2,1-2H3.
What are the key properties of 1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one?
1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one has a molecular weight of 385.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one is sourced from PubChem (CID 14896391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).