[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone

C20H20ClN3O — CID 3549432

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c1
InChIInChI=1S/C20H20ClN3O/c1-14-5-6-18-15(11-14)12-19(22-18)20(25)24-9-7-23(8-10-24)17-4-2-3-16(21)13-17/h2-6,11-13,22H,7-10H2,1H3
InChIKeyKVNQMUJHSVLGRX-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.09
Rot. Bonds2

About [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone

[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone (PubChem CID 3549432) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
PubChem CID3549432
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c1
InChIInChI=1S/C20H20ClN3O/c1-14-5-6-18-15(11-14)12-19(22-18)20(25)24-9-7-23(8-10-24)17-4-2-3-16(21)13-17/h2-6,11-13,22H,7-10H2,1H3
InChIKeyKVNQMUJHSVLGRX-UHFFFAOYSA-N
XLogP4.09
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone (CID 3549432) is [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone is Cc1ccc2[nH]c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2c1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
The InChIKey is KVNQMUJHSVLGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-14-5-6-18-15(11-14)12-19(22-18)20(25)24-9-7-23(8-10-24)17-4-2-3-16(21)13-17/h2-6,11-13,22H,7-10H2,1H3.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone has a molecular weight of 353.85 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(5-methyl-1H-indol-2-yl)methanone is sourced from PubChem (CID 3549432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).