2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide

C20H24N4O3 — CID 1374696

IUPAC2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccccc3C(N)=O)CC2)cc1
InChIInChI=1S/C20H24N4O3/c1-27-16-8-6-15(7-9-16)24-12-10-23(11-13-24)14-19(25)22-18-5-3-2-4-17(18)20(21)26/h2-9H,10-14H2,1H3,(H2,21,26)(H,22,25)
InChIKeyIXCRHZBEKCRBDX-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.55
Rot. Bonds6

About 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide

2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 1374696) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID1374696
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccccc3C(N)=O)CC2)cc1
InChIInChI=1S/C20H24N4O3/c1-27-16-8-6-15(7-9-16)24-12-10-23(11-13-24)14-19(25)22-18-5-3-2-4-17(18)20(21)26/h2-9H,10-14H2,1H3,(H2,21,26)(H,22,25)
InChIKeyIXCRHZBEKCRBDX-UHFFFAOYSA-N
XLogP1.55
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-yl]-N-(2-phenylphenyl)acetamide
CID 8587774
N-(2-acetylphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 8592653
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
N-(2,5-dichlorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655404
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzamide
CID 22199066
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467505
N-(4-bromo-2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 3287223
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2196705
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide (CID 1374696) is 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide is COc1ccc(N2CCN(CC(=O)Nc3ccccc3C(N)=O)CC2)cc1.
What is the InChIKey of 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is IXCRHZBEKCRBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-27-16-8-6-15(7-9-16)24-12-10-23(11-13-24)14-19(25)22-18-5-3-2-4-17(18)20(21)26/h2-9H,10-14H2,1H3,(H2,21,26)(H,22,25).
What are the key properties of 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide?
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 1374696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).