N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide

C18H19ClF3N5O2 — CID 86959633

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
SMILESCOc1cncc(N2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)n1
InChIInChI=1S/C18H19ClF3N5O2/c1-29-17-10-23-9-15(25-17)27-6-4-26(5-7-27)11-16(28)24-14-3-2-12(19)8-13(14)18(20,21)22/h2-3,8-10H,4-7,11H2,1H3,(H,24,28)
InChIKeyXTMDBICHWYFTDC-UHFFFAOYSA-N
MW429.83 g/mol
LogP2.92
Rot. Bonds5

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide (PubChem CID 86959633) has the molecular formula C18H19ClF3N5O2 and a molecular weight of 429.83 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
PubChem CID86959633
Molecular FormulaC18H19ClF3N5O2
Molecular Weight429.83 g/mol
Exact Mass429.12
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
SMILESCOc1cncc(N2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)n1
InChIInChI=1S/C18H19ClF3N5O2/c1-29-17-10-23-9-15(25-17)27-6-4-26(5-7-27)11-16(28)24-14-3-2-12(19)8-13(14)18(20,21)22/h2-3,8-10H,4-7,11H2,1H3,(H,24,28)
InChIKeyXTMDBICHWYFTDC-UHFFFAOYSA-N
XLogP2.92
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.83
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
CID 86959649
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87019468
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 31129710
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 29157692
N-[(2S)-butan-2-yl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 95980361
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]acetamide
CID 55851212
2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 31375697
N-(5-chloro-2-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146893
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 4840176
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 109017439
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]acetamide
CID 97076693
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55565860

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide (CID 86959633) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide is COc1cncc(N2CCN(CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)n1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is XTMDBICHWYFTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF3N5O2/c1-29-17-10-23-9-15(25-17)27-6-4-26(5-7-27)11-16(28)24-14-3-2-12(19)8-13(14)18(20,21)22/h2-3,8-10H,4-7,11H2,1H3,(H,24,28).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 429.83 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86959633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).