(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone

C21H19Cl2N3O2 — CID 55881568

IUPAC(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone
SMILESCn1c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc2ccccc21
InChIInChI=1S/C21H19Cl2N3O2/c1-24-17-8-3-2-5-14(17)13-18(24)21(28)26-11-9-25(10-12-26)20(27)15-6-4-7-16(22)19(15)23/h2-8,13H,9-12H2,1H3
InChIKeyBTEAEQUDFWYTST-UHFFFAOYSA-N
MW416.31 g/mol
LogP4.08
Rot. Bonds2

About (2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone

(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 55881568) has the molecular formula C21H19Cl2N3O2 and a molecular weight of 416.31 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone
PubChem CID55881568
Molecular FormulaC21H19Cl2N3O2
Molecular Weight416.31 g/mol
Exact Mass415.09
IUPAC Name(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone
SMILESCn1c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc2ccccc21
InChIInChI=1S/C21H19Cl2N3O2/c1-24-17-8-3-2-5-14(17)13-18(24)21(28)26-11-9-25(10-12-26)20(27)15-6-4-7-16(22)19(15)23/h2-8,13H,9-12H2,1H3
InChIKeyBTEAEQUDFWYTST-UHFFFAOYSA-N
XLogP4.08
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(1-methylindol-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 29139344
(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849758
(1-methylindol-2-yl)-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 164547017
(1-methylindol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 7329083
(1-methylindol-2-yl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
CID 155873055
(2-chlorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802824
(1-methylindol-2-yl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380576
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
(2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone
CID 95775773
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55748861

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone (CID 55881568) is (2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone is Cn1c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc2ccccc21.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is BTEAEQUDFWYTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O2/c1-24-17-8-3-2-5-14(17)13-18(24)21(28)26-11-9-25(10-12-26)20(27)15-6-4-7-16(22)19(15)23/h2-8,13H,9-12H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 416.31 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(1-methylindole-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55881568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).