1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one

C21H24ClN3O — CID 10067716

IUPAC1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H24ClN3O/c22-18-6-3-7-19(16-18)24-13-11-23(12-14-24)9-4-10-25-20-8-2-1-5-17(20)15-21(25)26/h1-3,5-8,16H,4,9-15H2
InChIKeyDJGZZEUZZHAVEO-UHFFFAOYSA-N
MW369.90 g/mol
LogP3.44
Rot. Bonds5

About 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one

1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one (PubChem CID 10067716) has the molecular formula C21H24ClN3O and a molecular weight of 369.90 g/mol. Its IUPAC name is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one
PubChem CID10067716
Molecular FormulaC21H24ClN3O
Molecular Weight369.90 g/mol
Exact Mass369.16
IUPAC Name1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one
SMILESO=C1Cc2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H24ClN3O/c22-18-6-3-7-19(16-18)24-13-11-23(12-14-24)9-4-10-25-20-8-2-1-5-17(20)15-21(25)26/h1-3,5-8,16H,4,9-15H2
InChIKeyDJGZZEUZZHAVEO-UHFFFAOYSA-N
XLogP3.44
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one?
The IUPAC name of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one (CID 10067716) is 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one.
What is the SMILES notation for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one?
The canonical SMILES for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one is O=C1Cc2ccccc2N1CCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one?
The InChIKey is DJGZZEUZZHAVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O/c22-18-6-3-7-19(16-18)24-13-11-23(12-14-24)9-4-10-25-20-8-2-1-5-17(20)15-21(25)26/h1-3,5-8,16H,4,9-15H2.
What are the key properties of 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one?
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one has a molecular weight of 369.90 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3H-indol-2-one is sourced from PubChem (CID 10067716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).