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

C28H34FN5O2 — CID 162669755

IUPAC2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2ccccc2F)CC1)N1CCN(CCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C28H34FN5O2/c29-25-9-3-1-8-24(25)28(36)34-18-14-32(15-19-34)21-27(35)33-16-12-31(13-17-33)11-5-6-22-20-30-26-10-4-2-7-23(22)26/h1-4,7-10,20,30H,5-6,11-19,21H2
InChIKeyRZMJYTHUZCYCES-UHFFFAOYSA-N
MW491.61 g/mol
LogP2.84
Rot. Bonds7

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

2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone (PubChem CID 162669755) has the molecular formula C28H34FN5O2 and a molecular weight of 491.61 g/mol. Its IUPAC name is 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
PubChem CID162669755
Molecular FormulaC28H34FN5O2
Molecular Weight491.61 g/mol
Exact Mass491.27
IUPAC Name2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2ccccc2F)CC1)N1CCN(CCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C28H34FN5O2/c29-25-9-3-1-8-24(25)28(36)34-18-14-32(15-19-34)21-27(35)33-16-12-31(13-17-33)11-5-6-22-20-30-26-10-4-2-7-23(22)26/h1-4,7-10,20,30H,5-6,11-19,21H2
InChIKeyRZMJYTHUZCYCES-UHFFFAOYSA-N
XLogP2.84
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]ethanone
CID 162675335
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42534114
(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 113072774
N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 60502687
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 55751738
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
N-(3,4-difluorophenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109798

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone (CID 162669755) is 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2ccccc2F)CC1)N1CCN(CCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone?
The InChIKey is RZMJYTHUZCYCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O2/c29-25-9-3-1-8-24(25)28(36)34-18-14-32(15-19-34)21-27(35)33-16-12-31(13-17-33)11-5-6-22-20-30-26-10-4-2-7-23(22)26/h1-4,7-10,20,30H,5-6,11-19,21H2.
What are the key properties of 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone?
2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone has a molecular weight of 491.61 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorobenzoyl)piperazin-1-yl]-1-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 162669755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).