1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone

C18H24N2O — CID 9275355

IUPAC1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESCCc1cccc2c(C(=O)CN3CCC[C@H](C)C3)c[nH]c12
InChIInChI=1S/C18H24N2O/c1-3-14-7-4-8-15-16(10-19-18(14)15)17(21)12-20-9-5-6-13(2)11-20/h4,7-8,10,13,19H,3,5-6,9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyCNBKZPWIBFTRPW-ZDUSSCGKSA-N
MW284.40 g/mol
LogP3.64
Rot. Bonds4

About 1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone

1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone (PubChem CID 9275355) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone
PubChem CID9275355
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone
SMILESCCc1cccc2c(C(=O)CN3CCC[C@H](C)C3)c[nH]c12
InChIInChI=1S/C18H24N2O/c1-3-14-7-4-8-15-16(10-19-18(14)15)17(21)12-20-9-5-6-13(2)11-20/h4,7-8,10,13,19H,3,5-6,9,11-12H2,1-2H3/t13-/m0/s1
InChIKeyCNBKZPWIBFTRPW-ZDUSSCGKSA-N
XLogP3.64
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

ethyl 1-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]piperidine-4-carboxylate
CID 26371565
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 9248225
N-(2,6-diethylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 22197765
1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
2-(3-methylpiperidin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219442
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 18094464
[1-[(7-ethyl-1H-indol-3-yl)methyl]piperidin-3-yl]methanol
CID 110244912
(7-ethyl-1H-indol-3-yl)-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 96996651
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266372
trans-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] (1R,2R)-2-methylcyclopropane-1-carboxylate
CID 7777256
1-(2,4-dimethylphenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219443

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone?
The IUPAC name of 1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone (CID 9275355) is 1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone is CCc1cccc2c(C(=O)CN3CCC[C@H](C)C3)c[nH]c12.
What is the InChIKey of 1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone?
The InChIKey is CNBKZPWIBFTRPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-14-7-4-8-15-16(10-19-18(14)15)17(21)12-20-9-5-6-13(2)11-20/h4,7-8,10,13,19H,3,5-6,9,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone?
1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone has a molecular weight of 284.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 9275355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).