2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone

C28H33ClFN5O2 — CID 162662712

IUPAC2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C28H33ClFN5O2/c29-23-5-1-3-21(17-23)28(37)35-15-11-33(12-16-35)20-27(36)34-13-9-32(10-14-34)8-2-4-22-19-31-26-7-6-24(30)18-25(22)26/h1,3,5-7,17-19,31H,2,4,8-16,20H2
InChIKeyJWPTVQFTXMKVDJ-UHFFFAOYSA-N
MW526.06 g/mol
LogP3.50
Rot. Bonds7

About 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone

2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone (PubChem CID 162662712) has the molecular formula C28H33ClFN5O2 and a molecular weight of 526.06 g/mol. Its IUPAC name is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
PubChem CID162662712
Molecular FormulaC28H33ClFN5O2
Molecular Weight526.06 g/mol
Exact Mass525.23
IUPAC Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C28H33ClFN5O2/c29-23-5-1-3-21(17-23)28(37)35-15-11-33(12-16-35)20-27(36)34-13-9-32(10-14-34)8-2-4-22-19-31-26-7-6-24(30)18-25(22)26/h1,3,5-7,17-19,31H,2,4,8-16,20H2
InChIKeyJWPTVQFTXMKVDJ-UHFFFAOYSA-N
XLogP3.50
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.06
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone 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 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone (CID 162662712) is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2cccc(Cl)c2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone?
The InChIKey is JWPTVQFTXMKVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClFN5O2/c29-23-5-1-3-21(17-23)28(37)35-15-11-33(12-16-35)20-27(36)34-13-9-32(10-14-34)8-2-4-22-19-31-26-7-6-24(30)18-25(22)26/h1,3,5-7,17-19,31H,2,4,8-16,20H2.
What are the key properties of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone?
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone has a molecular weight of 526.06 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 162662712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).