2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C25H27ClF3N5O3 — CID 98293565

IUPAC2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H27ClF3N5O3/c26-18-4-6-20(7-5-18)33-12-10-32(11-13-33)16-23(36)34-9-8-30-24(37)21(34)15-22(35)31-19-3-1-2-17(14-19)25(27,28)29/h1-7,14,21H,8-13,15-16H2,(H,30,37)(H,31,35)/t21-/m0/s1
InChIKeyJJXBMCXAOCRDLC-NRFANRHFSA-N
MW537.97 g/mol
LogP2.84
Rot. Bonds6

About 2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 98293565) has the molecular formula C25H27ClF3N5O3 and a molecular weight of 537.97 g/mol. Its IUPAC name is 2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID98293565
Molecular FormulaC25H27ClF3N5O3
Molecular Weight537.97 g/mol
Exact Mass537.18
IUPAC Name2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H27ClF3N5O3/c26-18-4-6-20(7-5-18)33-12-10-32(11-13-33)16-23(36)34-9-8-30-24(37)21(34)15-22(35)31-19-3-1-2-17(14-19)25(27,28)29/h1-7,14,21H,8-13,15-16H2,(H,30,37)(H,31,35)/t21-/m0/s1
InChIKeyJJXBMCXAOCRDLC-NRFANRHFSA-N
XLogP2.84
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.97
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide 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

N-(4-chlorophenyl)-2-[(2S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29104548
N-(4-bromophenyl)-2-[3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide
CID 16653838
N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide
CID 94859731
N-(4-acetamidophenyl)-2-[(2R)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 93488613
N-(2-methylphenyl)-2-[(2S)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide
CID 29104463
N-(4-chlorophenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 29111510
N-(4-acetamidophenyl)-2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43864608
2-[(2S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 29104282
N-(4-bromophenyl)-2-[3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 16653835
2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 17036622
N-(4-chlorophenyl)-2-[(2S)-1-[2-(4-formylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29111514
N-(3-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 17036645

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 98293565) is 2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(C[C@H]1C(=O)NCCN1C(=O)CN1CCN(c2ccc(Cl)cc2)CC1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JJXBMCXAOCRDLC-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27ClF3N5O3/c26-18-4-6-20(7-5-18)33-12-10-32(11-13-33)16-23(36)34-9-8-30-24(37)21(34)15-22(35)31-19-3-1-2-17(14-19)25(27,28)29/h1-7,14,21H,8-13,15-16H2,(H,30,37)(H,31,35)/t21-/m0/s1.
What are the key properties of 2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 537.97 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 98293565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).