1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one

C18H23N3O2 — CID 110799894

IUPAC1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C18H23N3O2/c1-3-17(22)20-8-10-21(11-9-20)18(23)12-14-13-19(2)16-7-5-4-6-15(14)16/h4-7,13H,3,8-12H2,1-2H3
InChIKeyOQKLOGAMCUVTOS-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.80
Rot. Bonds3

About 1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one

1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one (PubChem CID 110799894) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
PubChem CID110799894
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1
InChIInChI=1S/C18H23N3O2/c1-3-17(22)20-8-10-21(11-9-20)18(23)12-14-13-19(2)16-7-5-4-6-15(14)16/h4-7,13H,3,8-12H2,1-2H3
InChIKeyOQKLOGAMCUVTOS-UHFFFAOYSA-N
XLogP1.80
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylindol-3-yl)-1-piperazin-1-ylethanone
CID 82120795
1-(4-hydroxypiperidin-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 96668513
3,3-dimethyl-1-[4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepan-1-yl]butan-1-one
CID 110809561
N,N-dimethyl-4-[2-(1-methylindol-3-yl)acetyl]-1,4-diazepane-1-sulfonamide
CID 139599568
4-[2-(1-methylindol-3-yl)acetyl]-1-(2-methylphenyl)piperazin-2-one
CID 70774679
1-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(1-methylindol-3-yl)ethanone
CID 3634563
2-(1-methylindol-3-yl)-1-(4-pyridin-4-ylpiperidin-1-yl)ethanone
CID 70783175
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 90506349
1-[2-[(1R)-1-hydroxypropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(1-methylindol-3-yl)ethanone
CID 99979313
2-(1-methylindol-3-yl)-1-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95294044
2-(1-methylindol-3-yl)-1-[(3S)-3-phenylazepan-1-yl]ethanone
CID 129409350
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-2-(1-methylindol-3-yl)ethanone
CID 86949788

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one (CID 110799894) is 1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(C(=O)Cc2cn(C)c3ccccc23)CC1.
What is the InChIKey of 1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one?
The InChIKey is OQKLOGAMCUVTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-17(22)20-8-10-21(11-9-20)18(23)12-14-13-19(2)16-7-5-4-6-15(14)16/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one?
1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one has a molecular weight of 313.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1-methylindol-3-yl)acetyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110799894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).