(2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

C22H24F3N3O2 — CID 9459927

IUPAC(2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
SMILESCC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H24F3N3O2/c1-15(21(30)26-20-9-4-3-8-19(20)16(2)29)27-10-12-28(13-11-27)18-7-5-6-17(14-18)22(23,24)25/h3-9,14-15H,10-13H2,1-2H3,(H,26,30)/t15-/m1/s1
InChIKeyKNXNFDSCYDCGCZ-OAHLLOKOSA-N
MW419.45 g/mol
LogP4.06
Rot. Bonds5

About (2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide

(2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide (PubChem CID 9459927) has the molecular formula C22H24F3N3O2 and a molecular weight of 419.45 g/mol. Its IUPAC name is (2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
PubChem CID9459927
Molecular FormulaC22H24F3N3O2
Molecular Weight419.45 g/mol
Exact Mass419.18
IUPAC Name(2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
SMILESCC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H24F3N3O2/c1-15(21(30)26-20-9-4-3-8-19(20)16(2)29)27-10-12-28(13-11-27)18-7-5-6-17(14-18)22(23,24)25/h3-9,14-15H,10-13H2,1-2H3,(H,26,30)/t15-/m1/s1
InChIKeyKNXNFDSCYDCGCZ-OAHLLOKOSA-N
XLogP4.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 50875751
N-(4-chloro-2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55430380
(2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 25384906
(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9276896
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
N-(cyclopropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18124258
(2S)-N-(2-acetylphenyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 9250084
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 46529469
N-(2-cyano-3-methylbutan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18171113
(2S)-N-(cyclopentylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459953

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide (CID 9459927) is (2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide is CC(=O)c1ccccc1NC(=O)[C@@H](C)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide?
The InChIKey is KNXNFDSCYDCGCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24F3N3O2/c1-15(21(30)26-20-9-4-3-8-19(20)16(2)29)27-10-12-28(13-11-27)18-7-5-6-17(14-18)22(23,24)25/h3-9,14-15H,10-13H2,1-2H3,(H,26,30)/t15-/m1/s1.
What are the key properties of (2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide?
(2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide has a molecular weight of 419.45 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-acetylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 9459927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).