1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one

C21H26ClN3O2 — CID 67312118

IUPAC1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one
SMILESCOc1cc(Cl)ccc1N1CCN(CCn2ccc3c2CCCC3=O)CC1
InChIInChI=1S/C21H26ClN3O2/c1-27-21-15-16(22)5-6-19(21)25-13-10-23(11-14-25)9-12-24-8-7-17-18(24)3-2-4-20(17)26/h5-8,15H,2-4,9-14H2,1H3
InChIKeyXWZVGIPBYLDAIJ-UHFFFAOYSA-N
MW387.91 g/mol
LogP3.49
Rot. Bonds5

About 1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one

1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 67312118) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one
PubChem CID67312118
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one
SMILESCOc1cc(Cl)ccc1N1CCN(CCn2ccc3c2CCCC3=O)CC1
InChIInChI=1S/C21H26ClN3O2/c1-27-21-15-16(22)5-6-19(21)25-13-10-23(11-14-25)9-12-24-8-7-17-18(24)3-2-4-20(17)26/h5-8,15H,2-4,9-14H2,1H3
InChIKeyXWZVGIPBYLDAIJ-UHFFFAOYSA-N
XLogP3.49
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one (CID 67312118) is 1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one is COc1cc(Cl)ccc1N1CCN(CCn2ccc3c2CCCC3=O)CC1.
What is the InChIKey of 1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one?
The InChIKey is XWZVGIPBYLDAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-27-21-15-16(22)5-6-19(21)25-13-10-23(11-14-25)9-12-24-8-7-17-18(24)3-2-4-20(17)26/h5-8,15H,2-4,9-14H2,1H3.
What are the key properties of 1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one?
1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 387.91 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 67312118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).