N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide

C23H29N3O5 — CID 27854744

IUPACN-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C23H29N3O5/c1-16-5-7-17(8-6-16)24-20(27)15-25-11-13-26(14-12-25)23(28)18-9-10-19(29-2)22(31-4)21(18)30-3/h5-10H,11-15H2,1-4H3,(H,24,27)
InChIKeyOZTKEFJKMCKQTA-UHFFFAOYSA-N
MW427.50 g/mol
LogP2.42
Rot. Bonds7

About N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide

N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 27854744) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID27854744
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC NameN-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C23H29N3O5/c1-16-5-7-17(8-6-16)24-20(27)15-25-11-13-26(14-12-25)23(28)18-9-10-19(29-2)22(31-4)21(18)30-3/h5-10H,11-15H2,1-4H3,(H,24,27)
InChIKeyOZTKEFJKMCKQTA-UHFFFAOYSA-N
XLogP2.42
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-[4-(2,5-dimethylthiophene-3-carbonyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 18115509
N-(4-fluorophenyl)-2-[4-(2-hydroxy-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 27849701
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997168
(2,4-dimethoxy-3-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 110763337
2-[4-(3-bromo-2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 60550834
1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 126814847
(4-aminopiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 43635827
2-[4-(2-methoxy-5-nitrobenzoyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 46654951
[4-[[2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetyl]amino]phenyl] methyl carbonate
CID 150918073
(4-cyclopropylidenepiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 121187010

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide (CID 27854744) is N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide is COc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)c(OC)c1OC.
What is the InChIKey of N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is OZTKEFJKMCKQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-16-5-7-17(8-6-16)24-20(27)15-25-11-13-26(14-12-25)23(28)18-9-10-19(29-2)22(31-4)21(18)30-3/h5-10H,11-15H2,1-4H3,(H,24,27).
What are the key properties of N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide?
N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 427.50 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27854744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).