4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide

C22H24F3N3O3 — CID 41136027

IUPAC4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C22H24F3N3O3/c1-31-19-8-4-16(5-9-19)20(29)26-10-11-27-12-14-28(15-13-27)21(30)17-2-6-18(7-3-17)22(23,24)25/h2-9H,10-15H2,1H3,(H,26,29)
InChIKeyPPAGAYYGPAGPAH-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.90
Rot. Bonds6

About 4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide

4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 41136027) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
PubChem CID41136027
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C22H24F3N3O3/c1-31-19-8-4-16(5-9-19)20(29)26-10-11-27-12-14-28(15-13-27)21(30)17-2-6-18(7-3-17)22(23,24)25/h2-9H,10-15H2,1H3,(H,26,29)
InChIKeyPPAGAYYGPAGPAH-UHFFFAOYSA-N
XLogP2.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41135956
4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 138111121
4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
CID 29207362
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207413
[2-[4-[2-[(4-methoxybenzoyl)amino]ethyl]piperazine-1-carbonyl]phenyl] acetate
CID 41136272
4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide
CID 166208512
4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide
CID 119883434
N-[2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide;dihydrochloride
CID 120503890
N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41136212
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 17463626
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide (CID 41136027) is 4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide is COc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is PPAGAYYGPAGPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-31-19-8-4-16(5-9-19)20(29)26-10-11-27-12-14-28(15-13-27)21(30)17-2-6-18(7-3-17)22(23,24)25/h2-9H,10-15H2,1H3,(H,26,29).
What are the key properties of 4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide?
4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 435.45 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 41136027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).