3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide

C21H23F3N4O2 — CID 26661615

IUPAC3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C21H23F3N4O2/c1-14-9-15(2)11-16(10-14)20(30)26-13-19(29)28-7-5-27(6-8-28)18-4-3-17(12-25-18)21(22,23)24/h3-4,9-12H,5-8,13H2,1-2H3,(H,26,30)
InChIKeyISXLZNMPRLGOOA-UHFFFAOYSA-N
MW420.44 g/mol
LogP2.80
Rot. Bonds4

About 3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide

3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 26661615) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
PubChem CID26661615
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC Name3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C21H23F3N4O2/c1-14-9-15(2)11-16(10-14)20(30)26-13-19(29)28-7-5-27(6-8-28)18-4-3-17(12-25-18)21(22,23)24/h3-4,9-12H,5-8,13H2,1-2H3,(H,26,30)
InChIKeyISXLZNMPRLGOOA-UHFFFAOYSA-N
XLogP2.80
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 4877073
N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]propanamide
CID 37096307
3-nitro-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 27809919
2,2-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]propanamide
CID 29303701
4-methyl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pentan-1-one
CID 78772282
N-[1-(4-methylphenyl)-3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]acetamide
CID 134049216
[4-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 27809741
2,5-dimethyl-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzenesulfonamide
CID 31203636
3,5-dimethyl-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 2095565
3-imidazol-1-yl-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one
CID 4876354
[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 34373016
N-[2-oxo-2-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 90491551

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide (CID 26661615) is 3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide is Cc1cc(C)cc(C(=O)NCC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is ISXLZNMPRLGOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-14-9-15(2)11-16(10-14)20(30)26-13-19(29)28-7-5-27(6-8-28)18-4-3-17(12-25-18)21(22,23)24/h3-4,9-12H,5-8,13H2,1-2H3,(H,26,30).
What are the key properties of 3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide?
3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 420.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 26661615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).