4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide

C22H25N3O4 — CID 109046451

IUPAC4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-16(26)24-11-13-25(14-12-24)22(28)18-9-7-17(8-10-18)21(27)23-15-19-5-3-4-6-20(19)29-2/h3-10H,11-15H2,1-2H3,(H,23,27)
InChIKeySWALTHATZQTNRY-UHFFFAOYSA-N
MW395.46 g/mol
LogP1.93
Rot. Bonds5

About 4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide

4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide (PubChem CID 109046451) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
PubChem CID109046451
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-16(26)24-11-13-25(14-12-24)22(28)18-9-7-17(8-10-18)21(27)23-15-19-5-3-4-6-20(19)29-2/h3-10H,11-15H2,1-2H3,(H,23,27)
InChIKeySWALTHATZQTNRY-UHFFFAOYSA-N
XLogP1.93
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377
2-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109084938
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109155083
3-(4-formylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109053757
4-(4-formylpiperazine-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109046351
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
4-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 62236486
(4-methoxyphenyl)-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 704389
N-[(2-methoxyphenyl)methyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299036
N-[(2-methoxyphenyl)methyl]-1-methylpyrrole-3-carboxamide
CID 110762648
6-(4-acetylpiperazin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109117087

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide (CID 109046451) is 4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide is COc1ccccc1CNC(=O)c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide?
The InChIKey is SWALTHATZQTNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-16(26)24-11-13-25(14-12-24)22(28)18-9-7-17(8-10-18)21(27)23-15-19-5-3-4-6-20(19)29-2/h3-10H,11-15H2,1-2H3,(H,23,27).
What are the key properties of 4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide?
4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 109046451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).