1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one

C18H25NO2 — CID 14896395

IUPAC1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one
SMILESCCc1ccc2c(c1)C(C)(C)C(O)C2N1CCCCC1=O
InChIInChI=1S/C18H25NO2/c1-4-12-8-9-13-14(11-12)18(2,3)17(21)16(13)19-10-6-5-7-15(19)20/h8-9,11,16-17,21H,4-7,10H2,1-3H3
InChIKeyLEVVCARPWHOQEI-UHFFFAOYSA-N
MW287.40 g/mol
LogP2.95
Rot. Bonds2

About 1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one

1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one (PubChem CID 14896395) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one
PubChem CID14896395
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one
SMILESCCc1ccc2c(c1)C(C)(C)C(O)C2N1CCCCC1=O
InChIInChI=1S/C18H25NO2/c1-4-12-8-9-13-14(11-12)18(2,3)17(21)16(13)19-10-6-5-7-15(19)20/h8-9,11,16-17,21H,4-7,10H2,1-3H3
InChIKeyLEVVCARPWHOQEI-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
(2R,3R)-2-hydroxy-1,1-dimethyl-3-(2-oxo-1-pyridinyl)-2,3-dihydroindene-5-carbonitrile
CID 44382882
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
1-[(1R,2R)-2-hydroxy-3,3-dimethyl-5-(trifluoromethyl)-1,2-dihydroinden-1-yl]pyridin-2-one
CID 44383107
(1R,2R)-2-hydroxy-3,3-dimethyl-1-(2-oxopiperidin-1-yl)-1,2-dihydroindene-5-carbonitrile
CID 44383865
1-(2-Hydroxy-6-iodo-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one
CID 14896391
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

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one?
The IUPAC name of 1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one (CID 14896395) is 1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one.
What is the SMILES notation for 1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one?
The canonical SMILES for 1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one is CCc1ccc2c(c1)C(C)(C)C(O)C2N1CCCCC1=O.
What is the InChIKey of 1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one?
The InChIKey is LEVVCARPWHOQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-12-8-9-13-14(11-12)18(2,3)17(21)16(13)19-10-6-5-7-15(19)20/h8-9,11,16-17,21H,4-7,10H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one?
1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one has a molecular weight of 287.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-hydroxy-3,3-dimethyl-1,2-dihydroinden-1-yl)piperidin-2-one is sourced from PubChem (CID 14896395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).