2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide

C22H29N3O3 — CID 8719420

IUPAC2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESCOc1cc(C)c(CN2CCN(CC(=O)Nc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-17-13-20(27-2)21(28-3)14-18(17)15-24-9-11-25(12-10-24)16-22(26)23-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,23,26)
InChIKeyUYQGROOMEMJJAX-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.77
Rot. Bonds7

About 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide

2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide (PubChem CID 8719420) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
PubChem CID8719420
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
SMILESCOc1cc(C)c(CN2CCN(CC(=O)Nc3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H29N3O3/c1-17-13-20(27-2)21(28-3)14-18(17)15-24-9-11-25(12-10-24)16-22(26)23-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,23,26)
InChIKeyUYQGROOMEMJJAX-UHFFFAOYSA-N
XLogP2.77
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8719414
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 16577500
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773310
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 30735955
(2S)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30620929
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8719515
2-[4-[[4-(difluoromethoxy)-5-methoxy-2-nitrophenyl]methyl]piperazin-1-yl]-N-phenylacetamide
CID 31694598
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418
2-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31291782
N-(4-acetamidophenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997168
N-(4-acetylphenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997152
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide (CID 8719420) is 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide is COc1cc(C)c(CN2CCN(CC(=O)Nc3ccccc3)CC2)cc1OC.
What is the InChIKey of 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide?
The InChIKey is UYQGROOMEMJJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17-13-20(27-2)21(28-3)14-18(17)15-24-9-11-25(12-10-24)16-22(26)23-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,23,26).
What are the key properties of 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide?
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide has a molecular weight of 383.49 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 8719420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).