N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

C25H26N4O3 — CID 108525435

IUPACN-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1
InChIInChI=1S/C25H26N4O3/c1-32-23-10-6-5-9-22(23)28-15-17-29(18-16-28)25(31)24(30)27-21-13-11-20(12-14-21)26-19-7-3-2-4-8-19/h2-14,26H,15-18H2,1H3,(H,27,30)
InChIKeyBPABWBCWEWMJDD-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.73
Rot. Bonds5

About N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide

N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108525435) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108525435
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1
InChIInChI=1S/C25H26N4O3/c1-32-23-10-6-5-9-22(23)28-15-17-29(18-16-28)25(31)24(30)27-21-13-11-20(12-14-21)26-19-7-3-2-4-8-19/h2-14,26H,15-18H2,1H3,(H,27,30)
InChIKeyBPABWBCWEWMJDD-UHFFFAOYSA-N
XLogP3.73
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108530744
N-[4-(diethylamino)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108530576
2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108501448
N-(4-anilinophenyl)-2-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108517085
N-(3H-benzimidazol-5-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108529250
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]acetamide
CID 44590474
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(4-methyl-2-pyridinyl)-2-oxoacetamide
CID 108530730
2-anilino-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826557
N-(3-chloropropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108513767
4-(2-methoxyphenyl)-N-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 24825192
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-one
CID 889437
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108520976

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide (CID 108525435) is N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is COc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1.
What is the InChIKey of N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is BPABWBCWEWMJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-32-23-10-6-5-9-22(23)28-15-17-29(18-16-28)25(31)24(30)27-21-13-11-20(12-14-21)26-19-7-3-2-4-8-19/h2-14,26H,15-18H2,1H3,(H,27,30).
What are the key properties of N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 430.51 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108525435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).