N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide

C21H26N3O3+ — CID 9021756

IUPACN,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide
SMILESCN(C)C(=O)C[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-22(2)20(25)16-23-12-14-24(15-13-23)21(26)17-8-10-19(11-9-17)27-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3/p+1
InChIKeyGGTGMXSLONEEMK-UHFFFAOYSA-O
MW368.46 g/mol
LogP0.91
Rot. Bonds5

About N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide

N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 9021756) has the molecular formula C21H26N3O3+ and a molecular weight of 368.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide
PubChem CID9021756
Molecular FormulaC21H26N3O3+
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC NameN,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide
SMILESCN(C)C(=O)C[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C21H25N3O3/c1-22(2)20(25)16-23-12-14-24(15-13-23)21(26)17-8-10-19(11-9-17)27-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3/p+1
InChIKeyGGTGMXSLONEEMK-UHFFFAOYSA-O
XLogP0.91
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide
CID 9078754
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 8597039
ethyl 4-(4-phenoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808983
1-[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]ethanone
CID 39980027
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one
CID 52573410
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3,4-dichlorophenyl)methyl]-N-methylacetamide
CID 8597079
(4-methylsulfonylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 24517801
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 9223295
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 26003226

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide (CID 9021756) is N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide is CN(C)C(=O)C[NH+]1CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is GGTGMXSLONEEMK-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N3O3/c1-22(2)20(25)16-23-12-14-24(15-13-23)21(26)17-8-10-19(11-9-17)27-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3/p+1.
What are the key properties of N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide?
N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 368.46 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(4-phenoxybenzoyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9021756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).