1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone

C19H27N3O2 — CID 71927732

IUPAC1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCCC1CN(C(=O)Cc2c[nH]c3ccc(OC)cc23)CC1N(C)C
InChIInChI=1S/C19H27N3O2/c1-5-13-11-22(12-18(13)21(2)3)19(23)8-14-10-20-17-7-6-15(24-4)9-16(14)17/h6-7,9-10,13,18,20H,5,8,11-12H2,1-4H3
InChIKeyJHXGXHHCCAPCEN-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.52
Rot. Bonds5

About 1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone

1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone (PubChem CID 71927732) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone
PubChem CID71927732
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone
SMILESCCC1CN(C(=O)Cc2c[nH]c3ccc(OC)cc23)CC1N(C)C
InChIInChI=1S/C19H27N3O2/c1-5-13-11-22(12-18(13)21(2)3)19(23)8-14-10-20-17-7-6-15(24-4)9-16(14)17/h6-7,9-10,13,18,20H,5,8,11-12H2,1-4H3
InChIKeyJHXGXHHCCAPCEN-UHFFFAOYSA-N
XLogP2.52
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 97096930
1-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 172506143
1-(2-ethylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110855888
(3S)-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124687229
2-(5-methoxy-1H-indol-3-yl)-1-[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 129485500
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
8-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 136537122
N-[[(3S,4R)-3-(dimethylamino)-1-[(5-methoxy-1H-indol-3-yl)methyl]piperidin-4-yl]methyl]-2-methoxyacetamide
CID 91920957
1-[2-(5-methoxy-1H-indol-3-yl)acetyl]piperidine-2-carboxylic acid
CID 119176125
(3aS,7aS)-2-[2-(5-methoxy-1H-indol-3-yl)acetyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627360
ethyl 4-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 113209618
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone (CID 71927732) is 1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone is CCC1CN(C(=O)Cc2c[nH]c3ccc(OC)cc23)CC1N(C)C.
What is the InChIKey of 1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is JHXGXHHCCAPCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-5-13-11-22(12-18(13)21(2)3)19(23)8-14-10-20-17-7-6-15(24-4)9-16(14)17/h6-7,9-10,13,18,20H,5,8,11-12H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone?
1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 329.44 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]-2-(5-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 71927732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).