N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide

C22H26F3N3O2 — CID 46632227

IUPACN-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C22H26F3N3O2/c1-16(21(29)26-19-7-9-20(30-2)10-8-19)28-13-11-27(12-14-28)15-17-3-5-18(6-4-17)22(23,24)25/h3-10,16H,11-15H2,1-2H3,(H,26,29)
InChIKeyHFLAKSZLDQMFSI-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.86
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide

N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide (PubChem CID 46632227) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
PubChem CID46632227
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC NameN-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(NC(=O)C(C)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C22H26F3N3O2/c1-16(21(29)26-19-7-9-20(30-2)10-8-19)28-13-11-27(12-14-28)15-17-3-5-18(6-4-17)22(23,24)25/h3-10,16H,11-15H2,1-2H3,(H,26,29)
InChIKeyHFLAKSZLDQMFSI-UHFFFAOYSA-N
XLogP3.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 55355626
N-propan-2-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 155975106
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 46632143
(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 9130125
(2R)-N-propyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 37113607
(2S)-N-carbamoyl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 30956417
(2S)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9130375
(2S)-N-(4-methoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]propanamide
CID 30738398
(2S)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 30737410
2-[2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide
CID 46632147
(2R)-2-(4-ethylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 92763017
(2S)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]propanoic acid
CID 129415016

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide (CID 46632227) is N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide is COc1ccc(NC(=O)C(C)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide?
The InChIKey is HFLAKSZLDQMFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-16(21(29)26-19-7-9-20(30-2)10-8-19)28-13-11-27(12-14-28)15-17-3-5-18(6-4-17)22(23,24)25/h3-10,16H,11-15H2,1-2H3,(H,26,29).
What are the key properties of N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide?
N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide has a molecular weight of 421.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 46632227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).