[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone

C21H22ClN3O2 — CID 9475051

IUPAC[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22ClN3O2/c22-17-5-7-18(8-6-17)27-14-13-24-9-11-25(12-10-24)21(26)20-15-16-3-1-2-4-19(16)23-20/h1-8,15,23H,9-14H2
InChIKeyAXBFMZJKFVTDQU-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.66
Rot. Bonds5

About [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone

[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone (PubChem CID 9475051) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
PubChem CID9475051
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H22ClN3O2/c22-17-5-7-18(8-6-17)27-14-13-24-9-11-25(12-10-24)21(26)20-15-16-3-1-2-4-19(16)23-20/h1-8,15,23H,9-14H2
InChIKeyAXBFMZJKFVTDQU-UHFFFAOYSA-N
XLogP3.66
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
The IUPAC name of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone (CID 9475051) is [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone.
What is the SMILES notation for [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
The canonical SMILES for [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)N1CCN(CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
The InChIKey is AXBFMZJKFVTDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-17-5-7-18(8-6-17)27-14-13-24-9-11-25(12-10-24)21(26)20-15-16-3-1-2-4-19(16)23-20/h1-8,15,23H,9-14H2.
What are the key properties of [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone?
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone has a molecular weight of 383.88 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone is sourced from PubChem (CID 9475051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).