(5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

C20H22ClN3O — CID 162676890

IUPAC(5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)N2CCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C20H22ClN3O/c1-15-4-2-3-5-18(15)22-10-12-23(13-11-22)20(25)24-9-8-16-14-17(21)6-7-19(16)24/h2-7,14H,8-13H2,1H3
InChIKeyXYFNATWVEOFZTG-UHFFFAOYSA-N
MW355.87 g/mol
LogP3.95
Rot. Bonds1

About (5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone

(5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 162676890) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is (5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID162676890
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name(5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)N2CCc3cc(Cl)ccc32)CC1
InChIInChI=1S/C20H22ClN3O/c1-15-4-2-3-5-18(15)22-10-12-23(13-11-22)20(25)24-9-8-16-14-17(21)6-7-19(16)24/h2-7,14H,8-13H2,1H3
InChIKeyXYFNATWVEOFZTG-UHFFFAOYSA-N
XLogP3.95
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 162676890) is (5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)N2CCc3cc(Cl)ccc32)CC1.
What is the InChIKey of (5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is XYFNATWVEOFZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-15-4-2-3-5-18(15)22-10-12-23(13-11-22)20(25)24-9-8-16-14-17(21)6-7-19(16)24/h2-7,14H,8-13H2,1H3.
What are the key properties of (5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone?
(5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 355.87 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,3-dihydroindol-1-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 162676890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).