2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide

C23H25F3N4O3 — CID 11294180

IUPAC2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2=O)nc1
InChIInChI=1S/C23H25F3N4O3/c1-3-6-15(2)21(32)28-16-9-10-19(27-13-16)30-12-11-29(14-20(30)31)22(33)17-7-4-5-8-18(17)23(24,25)26/h4-5,7-10,13,15H,3,6,11-12,14H2,1-2H3,(H,28,32)
InChIKeyHIOVSUKEMRIQPH-UHFFFAOYSA-N
MW462.47 g/mol
LogP3.96
Rot. Bonds6

About 2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide

2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide (PubChem CID 11294180) has the molecular formula C23H25F3N4O3 and a molecular weight of 462.47 g/mol. Its IUPAC name is 2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide
PubChem CID11294180
Molecular FormulaC23H25F3N4O3
Molecular Weight462.47 g/mol
Exact Mass462.19
IUPAC Name2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2=O)nc1
InChIInChI=1S/C23H25F3N4O3/c1-3-6-15(2)21(32)28-16-9-10-19(27-13-16)30-12-11-29(14-20(30)31)22(33)17-7-4-5-8-18(17)23(24,25)26/h4-5,7-10,13,15H,3,6,11-12,14H2,1-2H3,(H,28,32)
InChIKeyHIOVSUKEMRIQPH-UHFFFAOYSA-N
XLogP3.96
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-pentyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]urea
CID 11328730
N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]heptanamide
CID 66905780
3-phenyl-N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]propanamide
CID 11488539
2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]hexanamide
CID 157293005
N-phenyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]propanamide
CID 46406003
N-(6-amino-3-pyridinyl)-2-methylpentanamide
CID 62899385
4-propyl-1-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-5-one
CID 42419626
N-[6-(3-cyclohexyl-2-oxoimidazolidin-1-yl)-3-pyridinyl]-2-(trifluoromethyl)benzamide
CID 53187627
2-ethoxy-N-[6-[4-(2-methylpentanoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46084230
[4-[5-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71083396
2-[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl]butanamide
CID 157069343
N-pentyl-5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 11213066

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide?
The IUPAC name of 2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide (CID 11294180) is 2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide.
What is the SMILES notation for 2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide?
The canonical SMILES for 2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide is CCCC(C)C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2=O)nc1.
What is the InChIKey of 2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide?
The InChIKey is HIOVSUKEMRIQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O3/c1-3-6-15(2)21(32)28-16-9-10-19(27-13-16)30-12-11-29(14-20(30)31)22(33)17-7-4-5-8-18(17)23(24,25)26/h4-5,7-10,13,15H,3,6,11-12,14H2,1-2H3,(H,28,32).
What are the key properties of 2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide?
2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide has a molecular weight of 462.47 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[6-[2-oxo-4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]pentanamide is sourced from PubChem (CID 11294180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).