3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one

C25H29FN2O — CID 42666875

IUPAC3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCc1cccc2c(C(CC(=O)N3CCC(C)CC3)c3cccc(F)c3)c[nH]c12
InChIInChI=1S/C25H29FN2O/c1-3-18-6-5-9-21-23(16-27-25(18)21)22(19-7-4-8-20(26)14-19)15-24(29)28-12-10-17(2)11-13-28/h4-9,14,16-17,22,27H,3,10-13,15H2,1-2H3
InChIKeyGTUMSZUIPSOIDJ-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.65
Rot. Bonds5

About 3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one

3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 42666875) has the molecular formula C25H29FN2O and a molecular weight of 392.52 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID42666875
Molecular FormulaC25H29FN2O
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCCc1cccc2c(C(CC(=O)N3CCC(C)CC3)c3cccc(F)c3)c[nH]c12
InChIInChI=1S/C25H29FN2O/c1-3-18-6-5-9-21-23(16-27-25(18)21)22(19-7-4-8-20(26)14-19)15-24(29)28-12-10-17(2)11-13-28/h4-9,14,16-17,22,27H,3,10-13,15H2,1-2H3
InChIKeyGTUMSZUIPSOIDJ-UHFFFAOYSA-N
XLogP5.65
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 42666860
(3R)-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 93122356
3-(7-ethyl-1H-indol-3-yl)-1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 42802339
(3R)-1-(4-benzylpiperidin-1-yl)-3-(7-ethyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 93122314
(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-phenoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064396
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
3-(3,4-dimethoxyphenyl)-3-(7-ethyl-1H-indol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 46133735
1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)propan-1-one
CID 46131414
ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)propanoyl]piperidine-4-carboxylate
CID 46131396
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(7-ethyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 42802333
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-N-(4-phenylbutan-2-yl)propanamide
CID 42802343
3-(1,3-benzodioxol-5-yl)-1-(2,6-dimethylmorpholin-4-yl)-3-(7-ethyl-1H-indol-3-yl)propan-1-one
CID 42802324

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 42666875) is 3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one is CCc1cccc2c(C(CC(=O)N3CCC(C)CC3)c3cccc(F)c3)c[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is GTUMSZUIPSOIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O/c1-3-18-6-5-9-21-23(16-27-25(18)21)22(19-7-4-8-20(26)14-19)15-24(29)28-12-10-17(2)11-13-28/h4-9,14,16-17,22,27H,3,10-13,15H2,1-2H3.
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one?
3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 392.52 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 42666875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).