N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide

C13H19F2N3O+2 — CID 8896710

IUPACN-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
SMILESC[NH+]1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C13H17F2N3O/c1-17-4-6-18(7-5-17)9-13(19)16-12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9H2,1H3,(H,16,19)/p+2
InChIKeyDJNUJSRNWGAMFQ-UHFFFAOYSA-P
MW271.31 g/mol
LogP-1.68
Rot. Bonds3

About N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide

N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide (PubChem CID 8896710) has the molecular formula C13H19F2N3O+2 and a molecular weight of 271.31 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
PubChem CID8896710
Molecular FormulaC13H19F2N3O+2
Molecular Weight271.31 g/mol
Exact Mass271.15
IUPAC NameN-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
SMILESC[NH+]1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C13H17F2N3O/c1-17-4-6-18(7-5-17)9-13(19)16-12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9H2,1H3,(H,16,19)/p+2
InChIKeyDJNUJSRNWGAMFQ-UHFFFAOYSA-P
XLogP-1.68
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 8902726
N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9130177
N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide
CID 6934505
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-(2,5-difluorophenyl)acetamide
CID 11940857
N-(5-chloro-2-fluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9257348
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
ethyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 2064227
N-[3-fluoro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 6987327
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767
2-(4-methylpiperazine-1,4-diium-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 3656753
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8896609
(2S)-N-(2,5-difluorophenyl)-2-pyrrolidin-1-ium-1-ylpropanamide
CID 9274967

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide (CID 8896710) is N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide is C[NH+]1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
The InChIKey is DJNUJSRNWGAMFQ-UHFFFAOYSA-P. The full InChI is InChI=1S/C13H17F2N3O/c1-17-4-6-18(7-5-17)9-13(19)16-12-8-10(14)2-3-11(12)15/h2-3,8H,4-7,9H2,1H3,(H,16,19)/p+2.
What are the key properties of N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide?
N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide has a molecular weight of 271.31 g/mol, XLogP of -1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide is sourced from PubChem (CID 8896710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).