[1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride

C18H22Cl2N2O4 — CID 70460297

IUPAC[1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride
SMILESCCOC(=O)OC1CN(CCc2c[nH]c3ccc(Cl)cc23)CCC1=O.Cl
InChIInChI=1S/C18H21ClN2O4.ClH/c1-2-24-18(23)25-17-11-21(8-6-16(17)22)7-5-12-10-20-15-4-3-13(19)9-14(12)15;/h3-4,9-10,17,20H,2,5-8,11H2,1H3;1H
InChIKeyQGYAILZBEWPTEB-UHFFFAOYSA-N
MW401.29 g/mol
LogP3.60
Rot. Bonds5

About [1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride

[1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride (PubChem CID 70460297) has the molecular formula C18H22Cl2N2O4 and a molecular weight of 401.29 g/mol. Its IUPAC name is [1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride.

Molecular Properties

Compound Name[1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride
PubChem CID70460297
Molecular FormulaC18H22Cl2N2O4
Molecular Weight401.29 g/mol
Exact Mass400.10
IUPAC Name[1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride
SMILESCCOC(=O)OC1CN(CCc2c[nH]c3ccc(Cl)cc23)CCC1=O.Cl
InChIInChI=1S/C18H21ClN2O4.ClH/c1-2-24-18(23)25-17-11-21(8-6-16(17)22)7-5-12-10-20-15-4-3-13(19)9-14(12)15;/h3-4,9-10,17,20H,2,5-8,11H2,1H3;1H
InChIKeyQGYAILZBEWPTEB-UHFFFAOYSA-N
XLogP3.60
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[2-(1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
CID 70460995
[1-[2-(4,6-dimethyl-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] methyl carbonate
CID 70460476
ethyl [(3S,4S)-4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl] carbonate
CID 70459487
ethyl 4-(5-chloro-1H-indol-3-yl)butanoate
CID 18175108
ethyl 4-[2-(5-chloro-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 110413453
5-chloro-3-(2-piperazin-1-ylethyl)-1H-indole
CID 82277469
(3,5-dichloro-1H-indol-2-yl) ethyl carbonate
CID 22362544
5-[3-(azepan-1-yl)-3-oxopropyl]-3-[2-(5-chloro-1H-indol-3-yl)ethyl]imidazolidine-2,4-dione
CID 73259625
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
5-chloro-3-[2-(2-ethylphenyl)ethyl]-1H-indole
CID 90747819
5-chloro-N-[1-[3-(5-chloro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 71151795
2-[4-[3-(5-chloro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylacetamide
CID 175405742

Frequently Asked Questions

What is the IUPAC name of [1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride?
The IUPAC name of [1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride (CID 70460297) is [1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride.
What is the SMILES notation for [1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride?
The canonical SMILES for [1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride is CCOC(=O)OC1CN(CCc2c[nH]c3ccc(Cl)cc23)CCC1=O.Cl.
What is the InChIKey of [1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride?
The InChIKey is QGYAILZBEWPTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4.ClH/c1-2-24-18(23)25-17-11-21(8-6-16(17)22)7-5-12-10-20-15-4-3-13(19)9-14(12)15;/h3-4,9-10,17,20H,2,5-8,11H2,1H3;1H.
What are the key properties of [1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride?
[1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride has a molecular weight of 401.29 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-oxopiperidin-3-yl] ethyl carbonate;hydrochloride is sourced from PubChem (CID 70460297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).