N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide

C24H33N4O3+ — CID 8587287

IUPACN,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-4-27(5-2)24(30)19-6-8-20(9-7-19)25-23(29)18-26-14-16-28(17-15-26)21-10-12-22(31-3)13-11-21/h6-13H,4-5,14-18H2,1-3H3,(H,25,29)/p+1
InChIKeyLYXWRNDCSMUGLZ-UHFFFAOYSA-O
MW425.55 g/mol
LogP1.52
Rot. Bonds8

About N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide

N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide (PubChem CID 8587287) has the molecular formula C24H33N4O3+ and a molecular weight of 425.55 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
PubChem CID8587287
Molecular FormulaC24H33N4O3+
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC NameN,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C24H32N4O3/c1-4-27(5-2)24(30)19-6-8-20(9-7-19)25-23(29)18-26-14-16-28(17-15-26)21-10-12-22(31-3)13-11-21/h6-13H,4-5,14-18H2,1-3H3,(H,25,29)/p+1
InChIKeyLYXWRNDCSMUGLZ-UHFFFAOYSA-O
XLogP1.52
TPSA66.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-naphthalen-2-ylacetamide
CID 2483117
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2062138
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8015411
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8592436
N-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 7738758
2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 2698419
4-(2,5-dioxopyrrolidin-1-yl)-N-ethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]benzamide
CID 25161545
ethyl N-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]carbamate
CID 8587066
4-[4-[[2-[(4-methoxybenzoyl)-propylamino]acetyl]amino]phenyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42677224
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
propyl 4-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CID 8703836
2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 7106994

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide (CID 8587287) is N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)C[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide?
The InChIKey is LYXWRNDCSMUGLZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H32N4O3/c1-4-27(5-2)24(30)19-6-8-20(9-7-19)25-23(29)18-26-14-16-28(17-15-26)21-10-12-22(31-3)13-11-21/h6-13H,4-5,14-18H2,1-3H3,(H,25,29)/p+1.
What are the key properties of N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide?
N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide has a molecular weight of 425.55 g/mol, XLogP of 1.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 8587287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).