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

C28H33F2N5O2 — CID 162675335

IUPAC2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C28H33F2N5O2/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
InChIKeyGFQZJWNHSQDLBH-UHFFFAOYSA-N
MW509.60 g/mol
LogP2.98
Rot. Bonds7

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

2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone (PubChem CID 162675335) has the molecular formula C28H33F2N5O2 and a molecular weight of 509.60 g/mol. Its IUPAC name is 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
PubChem CID162675335
Molecular FormulaC28H33F2N5O2
Molecular Weight509.60 g/mol
Exact Mass509.26
IUPAC Name2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C28H33F2N5O2/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
InChIKeyGFQZJWNHSQDLBH-UHFFFAOYSA-N
XLogP2.98
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.60
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3-fluorobenzoyl)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

Related Compounds

2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
CID 162669755
6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one
CID 141385793
3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-N-pentan-3-yl-N-phenylpropanamide
CID 175406463
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
2-(5-fluoro-1H-indol-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110700238
[4-(2-chloroethyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 39161614
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 32523207
(3-fluorophenyl)-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 113073665
5-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile
CID 22017560
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554
(4-fluorophenyl)-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]methanone
CID 110413339

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone (CID 162675335) is 2-[4-(3-fluorobenzoyl)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-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)N1CCN(CCCc2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone?
The InChIKey is GFQZJWNHSQDLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F2N5O2/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-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone?
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone has a molecular weight of 509.60 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 162675335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).