N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide

C20H25F2N3O2+2 — CID 9130177

IUPACN-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCOc1ccc(C[NH+]2CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C20H23F2N3O2/c1-27-17-5-2-15(3-6-17)13-24-8-10-25(11-9-24)14-20(26)23-19-12-16(21)4-7-18(19)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)/p+2
InChIKeyATYWCKKEFHWNOU-UHFFFAOYSA-P
MW377.44 g/mol
LogP-0.10
Rot. Bonds6

About N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide

N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide (PubChem CID 9130177) has the molecular formula C20H25F2N3O2+2 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
PubChem CID9130177
Molecular FormulaC20H25F2N3O2+2
Molecular Weight377.44 g/mol
Exact Mass377.19
IUPAC NameN-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
SMILESCOc1ccc(C[NH+]2CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC2)cc1
InChIInChI=1S/C20H23F2N3O2/c1-27-17-5-2-15(3-6-17)13-24-8-10-25(11-9-24)14-20(26)23-19-12-16(21)4-7-18(19)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)/p+2
InChIKeyATYWCKKEFHWNOU-UHFFFAOYSA-P
XLogP-0.10
TPSA47.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9129968
2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 9130005
2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 8902726
N-(2,5-difluorophenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide
CID 8896710
methyl 2-[[2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]amino]benzoate
CID 9130065
N-(2-benzylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9130202
N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8778357
N-(5-chloro-2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587427
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide
CID 9258599
N-[(2R)-butan-2-yl]-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9130139
N-butyl-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 9130146
1-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium
CID 2162791

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide (CID 9130177) is N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide is COc1ccc(C[NH+]2CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC2)cc1.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
The InChIKey is ATYWCKKEFHWNOU-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H23F2N3O2/c1-27-17-5-2-15(3-6-17)13-24-8-10-25(11-9-24)14-20(26)23-19-12-16(21)4-7-18(19)22/h2-7,12H,8-11,13-14H2,1H3,(H,23,26)/p+2.
What are the key properties of N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide?
N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide has a molecular weight of 377.44 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide is sourced from PubChem (CID 9130177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).