2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C22H29FN3O+ — CID 2654094

IUPAC2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H28FN3O/c1-16(2)18-8-6-7-17(3)22(18)24-21(27)15-25-11-13-26(14-12-25)20-10-5-4-9-19(20)23/h4-10,16H,11-15H2,1-3H3,(H,24,27)/p+1
InChIKeyHZWOVBFKWQEZCJ-UHFFFAOYSA-O
MW370.49 g/mol
LogP2.60
Rot. Bonds5

About 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 2654094) has the molecular formula C22H29FN3O+ and a molecular weight of 370.49 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID2654094
Molecular FormulaC22H29FN3O+
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H28FN3O/c1-16(2)18-8-6-7-17(3)22(18)24-21(27)15-25-11-13-26(14-12-25)20-10-5-4-9-19(20)23/h4-10,16H,11-15H2,1-3H3,(H,24,27)/p+1
InChIKeyHZWOVBFKWQEZCJ-UHFFFAOYSA-O
XLogP2.60
TPSA36.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 2652799
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8704673
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239
2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2655039
ethyl 4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932305
2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8726255
2-(2-fluorophenyl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2591845
N-(3,4-difluorophenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 8726037
2-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8704572
N-(2-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2064231
N-(3-bromophenyl)-2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2117154
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40696125

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 2654094) is 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is HZWOVBFKWQEZCJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H28FN3O/c1-16(2)18-8-6-7-17(3)22(18)24-21(27)15-25-11-13-26(14-12-25)20-10-5-4-9-19(20)23/h4-10,16H,11-15H2,1-3H3,(H,24,27)/p+1.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 370.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2654094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).