(5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone

C20H20ClN3O — CID 5029022

IUPAC(5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2cc(Cl)ccc21
InChIInChI=1S/C20H20ClN3O/c1-22-18-8-7-16(21)13-15(18)14-19(22)20(25)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3
InChIKeyZQHLIBIGYSQSHR-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.79
Rot. Bonds2

About (5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone

(5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 5029022) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is (5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID5029022
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name(5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2cc(Cl)ccc21
InChIInChI=1S/C20H20ClN3O/c1-22-18-8-7-16(21)13-15(18)14-19(22)20(25)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3
InChIKeyZQHLIBIGYSQSHR-UHFFFAOYSA-N
XLogP3.79
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone (CID 5029022) is (5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone is Cn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2cc(Cl)ccc21.
What is the InChIKey of (5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ZQHLIBIGYSQSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-22-18-8-7-16(21)13-15(18)14-19(22)20(25)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13-14H,9-12H2,1H3.
What are the key properties of (5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone?
(5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 353.85 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylindol-2-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 5029022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).