ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate

C18H23N3O3 — CID 36841011

IUPACethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2c(C)cc3ccccc32)CC1
InChIInChI=1S/C18H23N3O3/c1-3-24-18(23)20-10-8-19(9-11-20)17(22)13-21-14(2)12-15-6-4-5-7-16(15)21/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyWMXKXBRPSPLSBW-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.25
Rot. Bonds3

About ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate

ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate (PubChem CID 36841011) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate
PubChem CID36841011
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Nameethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2c(C)cc3ccccc32)CC1
InChIInChI=1S/C18H23N3O3/c1-3-24-18(23)20-10-8-19(9-11-20)17(22)13-21-14(2)12-15-6-4-5-7-16(15)21/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyWMXKXBRPSPLSBW-UHFFFAOYSA-N
XLogP2.25
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazine-1-carboxylate
CID 16574565
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 3573553
1-[2-(2-methylindol-1-yl)acetyl]-1,4-diazepan-5-one
CID 62046950
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 46478925
2-(2-methylindol-1-yl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 46448492
2-(2-methylindol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 42024048
(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 51974268
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 17489605
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 46561200
1-[(3S,4R)-3-amino-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 155970786
sodium 2-(2-methylindol-1-yl)acetate
CID 18735252
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate (CID 36841011) is ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cn2c(C)cc3ccccc32)CC1.
What is the InChIKey of ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is WMXKXBRPSPLSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-24-18(23)20-10-8-19(9-11-20)17(22)13-21-14(2)12-15-6-4-5-7-16(15)21/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-methylindol-1-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 36841011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).