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

C22H24ClN3O2 — CID 86889363

IUPAC(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc(C(C)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1
InChIInChI=1S/C22H24ClN3O2/c1-15(16-4-3-5-19(13-16)28-2)25-8-10-26(11-9-25)22(27)21-14-17-12-18(23)6-7-20(17)24-21/h3-7,12-15,24H,8-11H2,1-2H3
InChIKeyGHLLJYFEJYZYRT-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.35
Rot. Bonds4

About (5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone

(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 86889363) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
PubChem CID86889363
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
SMILESCOc1cccc(C(C)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1
InChIInChI=1S/C22H24ClN3O2/c1-15(16-4-3-5-19(13-16)28-2)25-8-10-26(11-9-25)22(27)21-14-17-12-18(23)6-7-20(17)24-21/h3-7,12-15,24H,8-11H2,1-2H3
InChIKeyGHLLJYFEJYZYRT-UHFFFAOYSA-N
XLogP4.35
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-1H-indol-2-yl)-[(4S,5S)-4-hydroxy-5-(3-methoxyphenoxy)azepan-1-yl]methanone
CID 110164573
(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone
CID 71295856
(5-chloro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
(5-chloro-1H-indol-2-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 134034136
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
(5-chloro-1H-indol-2-yl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 55683124
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
(3-aminophenyl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119877606
(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877596
(6-fluoro-3-pyridinyl)-[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 96568758
[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 46579208
1-[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 53013265

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone (CID 86889363) is (5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone is COc1cccc(C(C)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is GHLLJYFEJYZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-15(16-4-3-5-19(13-16)28-2)25-8-10-26(11-9-25)22(27)21-14-17-12-18(23)6-7-20(17)24-21/h3-7,12-15,24H,8-11H2,1-2H3.
What are the key properties of (5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone?
(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 397.91 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 86889363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).