chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate

C20H20ClN3O2 — CID 174877448

IUPACchloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate
SMILESO=C(OCl)C(N1CCNCC1)C1(c2ccccc2)C=Nc2ccccc21
InChIInChI=1S/C20H20ClN3O2/c21-26-19(25)18(24-12-10-22-11-13-24)20(15-6-2-1-3-7-15)14-23-17-9-5-4-8-16(17)20/h1-9,14,18,22H,10-13H2
InChIKeyIRECGVVPOASUBB-UHFFFAOYSA-N
MW369.85 g/mol
LogP2.66
Rot. Bonds4

About chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate

chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate (PubChem CID 174877448) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate.

Molecular Properties

Compound Namechloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate
PubChem CID174877448
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Namechloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate
SMILESO=C(OCl)C(N1CCNCC1)C1(c2ccccc2)C=Nc2ccccc21
InChIInChI=1S/C20H20ClN3O2/c21-26-19(25)18(24-12-10-22-11-13-24)20(15-6-2-1-3-7-15)14-23-17-9-5-4-8-16(17)20/h1-9,14,18,22H,10-13H2
InChIKeyIRECGVVPOASUBB-UHFFFAOYSA-N
XLogP2.66
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate?
The IUPAC name of chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate (CID 174877448) is chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate.
What is the SMILES notation for chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate?
The canonical SMILES for chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate is O=C(OCl)C(N1CCNCC1)C1(c2ccccc2)C=Nc2ccccc21.
What is the InChIKey of chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate?
The InChIKey is IRECGVVPOASUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-26-19(25)18(24-12-10-22-11-13-24)20(15-6-2-1-3-7-15)14-23-17-9-5-4-8-16(17)20/h1-9,14,18,22H,10-13H2.
What are the key properties of chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate?
chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate has a molecular weight of 369.85 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-(3-phenylindol-3-yl)-2-piperazin-1-ylacetate is sourced from PubChem (CID 174877448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).