2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

C24H33N4O2+ — CID 8592436

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOc1cccc(N2CC[NH+](CC(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C24H32N4O2/c1-30-23-7-5-6-22(18-23)28-16-14-26(15-17-28)19-24(29)25-20-8-10-21(11-9-20)27-12-3-2-4-13-27/h5-11,18H,2-4,12-17,19H2,1H3,(H,25,29)/p+1
InChIKeyFJERYEPQTGQQGT-UHFFFAOYSA-O
MW409.55 g/mol
LogP2.03
Rot. Bonds6

About 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 8592436) has the molecular formula C24H33N4O2+ and a molecular weight of 409.55 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID8592436
Molecular FormulaC24H33N4O2+
Molecular Weight409.55 g/mol
Exact Mass409.26
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCOc1cccc(N2CC[NH+](CC(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1
InChIInChI=1S/C24H32N4O2/c1-30-23-7-5-6-22(18-23)28-16-14-26(15-17-28)19-24(29)25-20-8-10-21(11-9-20)27-12-3-2-4-13-27/h5-11,18H,2-4,12-17,19H2,1H3,(H,25,29)/p+1
InChIKeyFJERYEPQTGQQGT-UHFFFAOYSA-O
XLogP2.03
TPSA49.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.55
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 2698419
N-(2,6-dichlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2698435
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-2-ylacetamide
CID 2483117
N-(2,3-dimethylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592404
N'-[2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide
CID 8592125
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2062138
N-(2-fluoro-4-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592588
2-(azocan-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583684
2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide
CID 6958022
N-(4-chloro-2-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592500
N-(4-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592568
N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
CID 8587287

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 8592436) is 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is COc1cccc(N2CC[NH+](CC(=O)Nc3ccc(N4CCCCC4)cc3)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is FJERYEPQTGQQGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32N4O2/c1-30-23-7-5-6-22(18-23)28-16-14-26(15-17-28)19-24(29)25-20-8-10-21(11-9-20)27-12-3-2-4-13-27/h5-11,18H,2-4,12-17,19H2,1H3,(H,25,29)/p+1.
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 409.55 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 8592436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).