2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide

C14H18F3N3O — CID 80550540

IUPAC2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide
SMILESCC(C)(C(=O)Nc1c(F)cc(F)cc1F)N1CCNCC1
InChIInChI=1S/C14H18F3N3O/c1-14(2,20-5-3-18-4-6-20)13(21)19-12-10(16)7-9(15)8-11(12)17/h7-8,18H,3-6H2,1-2H3,(H,19,21)
InChIKeyJCKOERSAHGEBON-UHFFFAOYSA-N
MW301.31 g/mol
LogP1.73
Rot. Bonds3

About 2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide

2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide (PubChem CID 80550540) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide.

Molecular Properties

Compound Name2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide
PubChem CID80550540
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide
SMILESCC(C)(C(=O)Nc1c(F)cc(F)cc1F)N1CCNCC1
InChIInChI=1S/C14H18F3N3O/c1-14(2,20-5-3-18-4-6-20)13(21)19-12-10(16)7-9(15)8-11(12)17/h7-8,18H,3-6H2,1-2H3,(H,19,21)
InChIKeyJCKOERSAHGEBON-UHFFFAOYSA-N
XLogP1.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-4,6-difluorophenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547613
2-methyl-2-piperazin-1-yl-N-(2,4,6-tribromophenyl)propanamide
CID 80547446
2-methyl-2-piperazin-1-yl-N-(2,3,4-trifluorophenyl)propanamide
CID 80548019
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80548312
N-(2,6-dichloro-3-methylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 80547728
1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 105412044
N-(4-hydroxy-2,5-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 106954484
2-methyl-N-(5-methyl-3-pyridinyl)-2-piperazin-1-ylpropanamide
CID 103814539
2-methyl-2-piperazin-1-yl-N-(1H-pyrazol-5-yl)propanamide
CID 80548785
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599252
N-(4-chloro-3-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropanamide
CID 107621761
2-methyl-N-methylsulfonyl-2-piperazin-1-ylpropanamide
CID 103287498

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide?
The IUPAC name of 2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide (CID 80550540) is 2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide.
What is the SMILES notation for 2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide?
The canonical SMILES for 2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide is CC(C)(C(=O)Nc1c(F)cc(F)cc1F)N1CCNCC1.
What is the InChIKey of 2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide?
The InChIKey is JCKOERSAHGEBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-14(2,20-5-3-18-4-6-20)13(21)19-12-10(16)7-9(15)8-11(12)17/h7-8,18H,3-6H2,1-2H3,(H,19,21).
What are the key properties of 2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide?
2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide has a molecular weight of 301.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperazin-1-yl-N-(2,4,6-trifluorophenyl)propanamide is sourced from PubChem (CID 80550540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).