N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

C25H31N3O5 — CID 11590549

IUPACN-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)NC3CC(=O)c4cc(OC)c(OC)cc43)CC2)cc1
InChIInChI=1S/C25H31N3O5/c1-31-18-6-4-17(5-7-18)15-27-8-10-28(11-9-27)16-25(30)26-21-14-22(29)20-13-24(33-3)23(32-2)12-19(20)21/h4-7,12-13,21H,8-11,14-16H2,1-3H3,(H,26,30)
InChIKeyJXUGZWSMBCZHNJ-UHFFFAOYSA-N
MW453.54 g/mol
LogP2.27
Rot. Bonds8

About N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide

N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 11590549) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID11590549
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC NameN-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1ccc(CN2CCN(CC(=O)NC3CC(=O)c4cc(OC)c(OC)cc43)CC2)cc1
InChIInChI=1S/C25H31N3O5/c1-31-18-6-4-17(5-7-18)15-27-8-10-28(11-9-27)16-25(30)26-21-14-22(29)20-13-24(33-3)23(32-2)12-19(20)21/h4-7,12-13,21H,8-11,14-16H2,1-3H3,(H,26,30)
InChIKeyJXUGZWSMBCZHNJ-UHFFFAOYSA-N
XLogP2.27
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride
CID 11604990
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride
CID 11677634
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137
N-(3,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130053
N-(4-methoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9129962
N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33074129
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 9130348
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9129907
N-[2-(4-chlorophenoxy)ethyl]-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 35885849
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073914
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34932750
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(3-ethylpent-1-yn-3-yl)acetamide
CID 8872417

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 11590549) is N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is COc1ccc(CN2CCN(CC(=O)NC3CC(=O)c4cc(OC)c(OC)cc43)CC2)cc1.
What is the InChIKey of N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is JXUGZWSMBCZHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-31-18-6-4-17(5-7-18)15-27-8-10-28(11-9-27)16-25(30)26-21-14-22(29)20-13-24(33-3)23(32-2)12-19(20)21/h4-7,12-13,21H,8-11,14-16H2,1-3H3,(H,26,30).
What are the key properties of N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 453.54 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 11590549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).