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

C22H24ClN3O3 — CID 71724941

IUPAC(4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)c3cc4c(Cl)cccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H24ClN3O3/c1-28-16-5-7-17(8-6-16)29-14-13-25-9-11-26(12-10-25)22(27)21-15-18-19(23)3-2-4-20(18)24-21/h2-8,15,24H,9-14H2,1H3
InChIKeyRNWJQFRWBPTMAA-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.67
Rot. Bonds6

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

(4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone (PubChem CID 71724941) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is (4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
PubChem CID71724941
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name(4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCOc1ccc(OCCN2CCN(C(=O)c3cc4c(Cl)cccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H24ClN3O3/c1-28-16-5-7-17(8-6-16)29-14-13-25-9-11-26(12-10-25)22(27)21-15-18-19(23)3-2-4-20(18)24-21/h2-8,15,24H,9-14H2,1H3
InChIKeyRNWJQFRWBPTMAA-UHFFFAOYSA-N
XLogP3.67
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone (CID 71724941) is (4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone is COc1ccc(OCCN2CCN(C(=O)c3cc4c(Cl)cccc4[nH]3)CC2)cc1.
What is the InChIKey of (4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The InChIKey is RNWJQFRWBPTMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-28-16-5-7-17(8-6-16)29-14-13-25-9-11-26(12-10-25)22(27)21-15-18-19(23)3-2-4-20(18)24-21/h2-8,15,24H,9-14H2,1H3.
What are the key properties of (4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
(4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone has a molecular weight of 413.91 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1H-indol-2-yl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71724941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).