1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride

C22H26ClN3O3 — CID 120733724

IUPAC1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc2c(c1)CCN2C(C)=O.Cl
InChIInChI=1S/C22H25N3O3.ClH/c1-15(26)24-11-9-16-13-17(7-8-19(16)24)22(27)25-12-10-23-14-20(25)18-5-3-4-6-21(18)28-2;/h3-8,13,20,23H,9-12,14H2,1-2H3;1H
InChIKeyLCXATENICFFMRQ-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.81
Rot. Bonds3

About 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride

1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride (PubChem CID 120733724) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride
PubChem CID120733724
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc2c(c1)CCN2C(C)=O.Cl
InChIInChI=1S/C22H25N3O3.ClH/c1-15(26)24-11-9-16-13-17(7-8-19(16)24)22(27)25-12-10-23-14-20(25)18-5-3-4-6-21(18)28-2;/h3-8,13,20,23H,9-12,14H2,1-2H3;1H
InChIKeyLCXATENICFFMRQ-UHFFFAOYSA-N
XLogP2.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 120734460
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
(2,4-dimethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120735161
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 120735196
6-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one;hydrochloride
CID 120733628

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride (CID 120733724) is 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride is COc1ccccc1C1CNCCN1C(=O)c1ccc2c(c1)CCN2C(C)=O.Cl.
What is the InChIKey of 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride?
The InChIKey is LCXATENICFFMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.ClH/c1-15(26)24-11-9-16-13-17(7-8-19(16)24)22(27)25-12-10-23-14-20(25)18-5-3-4-6-21(18)28-2;/h3-8,13,20,23H,9-12,14H2,1-2H3;1H.
What are the key properties of 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride?
1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride has a molecular weight of 415.92 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 120733724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).