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

C17H20ClN3O3 — CID 39313356

IUPACethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2ccc3c(Cl)cccc32)CC1
InChIInChI=1S/C17H20ClN3O3/c1-2-24-17(23)20-10-8-19(9-11-20)16(22)12-21-7-6-13-14(18)4-3-5-15(13)21/h3-7H,2,8-12H2,1H3
InChIKeyUFEQVYQSIDQYGB-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.60
Rot. Bonds3

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

ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate (PubChem CID 39313356) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate
PubChem CID39313356
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Nameethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cn2ccc3c(Cl)cccc32)CC1
InChIInChI=1S/C17H20ClN3O3/c1-2-24-17(23)20-10-8-19(9-11-20)16(22)12-21-7-6-13-14(18)4-3-5-15(13)21/h3-7H,2,8-12H2,1H3
InChIKeyUFEQVYQSIDQYGB-UHFFFAOYSA-N
XLogP2.60
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate (CID 39313356) is ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cn2ccc3c(Cl)cccc32)CC1.
What is the InChIKey of ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate?
The InChIKey is UFEQVYQSIDQYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-2-24-17(23)20-10-8-19(9-11-20)16(22)12-21-7-6-13-14(18)4-3-5-15(13)21/h3-7H,2,8-12H2,1H3.
What are the key properties of ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate?
ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate has a molecular weight of 349.82 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 39313356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).