N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide

C24H31N3O4 — CID 8719414

IUPACN-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1cc(C)c(CN2CCN(CC(=O)Nc3cccc(C(C)=O)c3)CC2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-17-12-22(30-3)23(31-4)14-20(17)15-26-8-10-27(11-9-26)16-24(29)25-21-7-5-6-19(13-21)18(2)28/h5-7,12-14H,8-11,15-16H2,1-4H3,(H,25,29)
InChIKeyOSZTUMBWZHWEJY-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.97
Rot. Bonds8

About N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide

N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 8719414) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID8719414
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1cc(C)c(CN2CCN(CC(=O)Nc3cccc(C(C)=O)c3)CC2)cc1OC
InChIInChI=1S/C24H31N3O4/c1-17-12-22(30-3)23(31-4)14-20(17)15-26-8-10-27(11-9-26)16-24(29)25-21-7-5-6-19(13-21)18(2)28/h5-7,12-14H,8-11,15-16H2,1-4H3,(H,25,29)
InChIKeyOSZTUMBWZHWEJY-UHFFFAOYSA-N
XLogP2.97
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 8719420
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
N-(4-acetylphenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 8997152
2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 8719515
[2-(3-acetylanilino)-2-oxoethyl]-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium
CID 8550166
N-(3-acetylphenyl)-2-(4-methoxy-2,5-dimethylphenyl)acetamide
CID 110768011
N-(3-acetylphenyl)-2-(2-methoxy-4,5-dimethylphenyl)acetamide
CID 110767948
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502
N-(3-methoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9257418
N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 9258558
(2S)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 8719695

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide (CID 8719414) is N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide is COc1cc(C)c(CN2CCN(CC(=O)Nc3cccc(C(C)=O)c3)CC2)cc1OC.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is OSZTUMBWZHWEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-17-12-22(30-3)23(31-4)14-20(17)15-26-8-10-27(11-9-26)16-24(29)25-21-7-5-6-19(13-21)18(2)28/h5-7,12-14H,8-11,15-16H2,1-4H3,(H,25,29).
What are the key properties of N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 425.53 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8719414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).