1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one

C23H27FN2O3 — CID 42565620

IUPAC1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCc1c(CC(=O)N2CCC[C@@H](O)C2)c2c(n1Cc1ccc(F)cc1)CCCC2=O
InChIInChI=1S/C23H27FN2O3/c1-15-19(12-22(29)25-11-3-4-18(27)14-25)23-20(5-2-6-21(23)28)26(15)13-16-7-9-17(24)10-8-16/h7-10,18,27H,2-6,11-14H2,1H3/t18-/m1/s1
InChIKeyDFEQBVVZDZZVBT-GOSISDBHSA-N
MW398.48 g/mol
LogP3.03
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one

1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one (PubChem CID 42565620) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
PubChem CID42565620
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCc1c(CC(=O)N2CCC[C@@H](O)C2)c2c(n1Cc1ccc(F)cc1)CCCC2=O
InChIInChI=1S/C23H27FN2O3/c1-15-19(12-22(29)25-11-3-4-18(27)14-25)23-20(5-2-6-21(23)28)26(15)13-16-7-9-17(24)10-8-16/h7-10,18,27H,2-6,11-14H2,1H3/t18-/m1/s1
InChIKeyDFEQBVVZDZZVBT-GOSISDBHSA-N
XLogP3.03
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(4-fluorophenyl)methyl]-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl]-N,N-dimethylacetamide
CID 42157239
1-benzyl-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one
CID 42190267
1-[(2-fluorophenyl)methyl]-2-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-6,7-dihydro-5H-indol-4-one
CID 42123586
2-(4-fluorophenyl)-1-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 110893860
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(1S)-1-cyclopropylethyl]acetamide
CID 25385572
2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 111561121
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
2-(3,4-dimethylphenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 60654838
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 51680982
2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-prop-2-enylacetamide
CID 25377422
2-[4-(difluoromethoxy)phenyl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43393280

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one (CID 42565620) is 1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one is Cc1c(CC(=O)N2CCC[C@@H](O)C2)c2c(n1Cc1ccc(F)cc1)CCCC2=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is DFEQBVVZDZZVBT-GOSISDBHSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-15-19(12-22(29)25-11-3-4-18(27)14-25)23-20(5-2-6-21(23)28)26(15)13-16-7-9-17(24)10-8-16/h7-10,18,27H,2-6,11-14H2,1H3/t18-/m1/s1.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one?
1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 398.48 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[2-[(3R)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-2-methyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 42565620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).