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

C25H27ClF3N5O3 — CID 94859731

IUPACN-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C25H27ClF3N5O3/c26-19-6-1-2-7-20(19)31-22(35)15-21-24(37)30-8-9-34(21)23(36)16-32-10-12-33(13-11-32)18-5-3-4-17(14-18)25(27,28)29/h1-7,14,21H,8-13,15-16H2,(H,30,37)(H,31,35)/t21-/m1/s1
InChIKeyISXKDBIOLLQOAQ-OAQYLSRUSA-N
MW537.97 g/mol
LogP2.84
Rot. Bonds6

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

N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide (PubChem CID 94859731) has the molecular formula C25H27ClF3N5O3 and a molecular weight of 537.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide
PubChem CID94859731
Molecular FormulaC25H27ClF3N5O3
Molecular Weight537.97 g/mol
Exact Mass537.18
IUPAC NameN-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C25H27ClF3N5O3/c26-19-6-1-2-7-20(19)31-22(35)15-21-24(37)30-8-9-34(21)23(36)16-32-10-12-33(13-11-32)18-5-3-4-17(14-18)25(27,28)29/h1-7,14,21H,8-13,15-16H2,(H,30,37)(H,31,35)/t21-/m1/s1
InChIKeyISXKDBIOLLQOAQ-OAQYLSRUSA-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

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Related Compounds

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-bromophenyl)-2-[3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide
CID 16653838
2-[(2S)-1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 98293565
N-(2-chlorophenyl)-2-[(2S)-1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29045076
2-[(2S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(2-methoxyphenyl)acetamide
CID 30468309
N-(2-chlorophenyl)-2-[1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43854527
2-[(2S)-1-[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(2,4-dimethylphenyl)acetamide
CID 30468129
N-(2-methoxyphenyl)-2-[(2S)-3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 30468187
2-[1-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(2-chlorophenyl)acetamide
CID 43854529
N-(2,3-dichlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199177
N-(4-bromophenyl)-2-[3-oxo-1-[2-(4-phenylpiperazin-1-yl)acetyl]piperazin-2-yl]acetamide
CID 16653835
N-(2,4,5-trichlorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 22199205

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide (CID 94859731) is N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide is O=C(C[C@@H]1C(=O)NCCN1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide?
The InChIKey is ISXKDBIOLLQOAQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H27ClF3N5O3/c26-19-6-1-2-7-20(19)31-22(35)15-21-24(37)30-8-9-34(21)23(36)16-32-10-12-33(13-11-32)18-5-3-4-17(14-18)25(27,28)29/h1-7,14,21H,8-13,15-16H2,(H,30,37)(H,31,35)/t21-/m1/s1.
What are the key properties of N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide?
N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]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 N-(2-chlorophenyl)-2-[(2R)-3-oxo-1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]piperazin-2-yl]acetamide is sourced from PubChem (CID 94859731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).