(7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone

C22H24ClN3O3 — CID 71725008

IUPAC(7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc(OCCN2CCN(C(=O)c3cc4cccc(Cl)c4[nH]3)CC2)c1
InChIInChI=1S/C22H24ClN3O3/c1-28-17-5-3-6-18(15-17)29-13-12-25-8-10-26(11-9-25)22(27)20-14-16-4-2-7-19(23)21(16)24-20/h2-7,14-15,24H,8-13H2,1H3
InChIKeyXQRJMFAUMNWVTD-UHFFFAOYSA-N
MW413.91 g/mol
LogP3.67
Rot. Bonds6

About (7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone

(7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone (PubChem CID 71725008) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is (7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
PubChem CID71725008
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name(7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc(OCCN2CCN(C(=O)c3cc4cccc(Cl)c4[nH]3)CC2)c1
InChIInChI=1S/C22H24ClN3O3/c1-28-17-5-3-6-18(15-17)29-13-12-25-8-10-26(11-9-25)22(27)20-14-16-4-2-7-19(23)21(16)24-20/h2-7,14-15,24H,8-13H2,1H3
InChIKeyXQRJMFAUMNWVTD-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

Analyze (7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

(7-methoxy-1H-indol-2-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
CID 71724984
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 71725004
(3,4-dimethoxyphenyl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 71571415
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 33323201
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(3-methyl-1H-indol-2-yl)methanone
CID 71725059
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1H-pyrazol-5-yl)methanone;2,2,2-trifluoroacetic acid
CID 154889347
(3,5-dimethoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 35147974
(4-methoxyphenyl)-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methanone
CID 110638198
(2R)-2-amino-1-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]propan-1-one
CID 120873129
(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 77092201
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 27847337
3-[3-[4-(7-chloro-1H-indole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
CID 177381162

Frequently Asked Questions

What is the IUPAC name of (7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone (CID 71725008) is (7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone is COc1cccc(OCCN2CCN(C(=O)c3cc4cccc(Cl)c4[nH]3)CC2)c1.
What is the InChIKey of (7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
The InChIKey is XQRJMFAUMNWVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-28-17-5-3-6-18(15-17)29-13-12-25-8-10-26(11-9-25)22(27)20-14-16-4-2-7-19(23)21(16)24-20/h2-7,14-15,24H,8-13H2,1H3.
What are the key properties of (7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone?
(7-chloro-1H-indol-2-yl)-[4-[2-(3-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 (7-chloro-1H-indol-2-yl)-[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 71725008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).