3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one

C16H19N3O2 — CID 63600642

IUPAC3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O2/c1-2-14-16(21)17-7-8-19(14)15(20)9-11-10-18-13-6-4-3-5-12(11)13/h3-6,10,14,18H,2,7-9H2,1H3,(H,17,21)
InChIKeyYLAYGBBWHPRTRR-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.45
Rot. Bonds3

About 3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one

3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one (PubChem CID 63600642) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
PubChem CID63600642
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O2/c1-2-14-16(21)17-7-8-19(14)15(20)9-11-10-18-13-6-4-3-5-12(11)13/h3-6,10,14,18H,2,7-9H2,1H3,(H,17,21)
InChIKeyYLAYGBBWHPRTRR-UHFFFAOYSA-N
XLogP1.45
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(1H-indol-3-yl)ethanone
CID 51239349
3-ethyl-4-(3-hydroxy-3-phenylbutanoyl)piperazin-2-one
CID 110025296
3-[2-[(2S)-2-ethyl-3-oxo-1,4-diazepan-1-yl]-2-oxoethyl]-2H-isoquinolin-1-one
CID 136587024
(8aR,11aS)-1-[2-(1H-indol-3-yl)acetyl]-2,3,5,6,7,8a,9,10,11,11a-decahydrocyclopenta[e][1,4,8]oxadiazecin-8-one
CID 110202363
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
decyl 2-[1-(2-naphthalen-1-ylacetyl)-3-oxopiperazin-2-yl]acetate
CID 17093892
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
3-(2-ethyl-3-oxopiperazin-1-yl)-3-oxopropanethioamide
CID 63603860
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
1-(2,3-dimethylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
CID 110744420
1-[2-(2-ethyl-3-oxopiperazin-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325275

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one (CID 63600642) is 3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one?
The InChIKey is YLAYGBBWHPRTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-2-14-16(21)17-7-8-19(14)15(20)9-11-10-18-13-6-4-3-5-12(11)13/h3-6,10,14,18H,2,7-9H2,1H3,(H,17,21).
What are the key properties of 3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one?
3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one has a molecular weight of 285.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[2-(1H-indol-3-yl)acetyl]piperazin-2-one is sourced from PubChem (CID 63600642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).