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

C23H31N3O5 — CID 33074129

IUPACN-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc(OC)c1
InChIInChI=1S/C23H31N3O5/c1-28-19-12-18(13-20(14-19)29-2)24-23(27)16-26-9-7-25(8-10-26)15-17-5-6-21(30-3)22(11-17)31-4/h5-6,11-14H,7-10,15-16H2,1-4H3,(H,24,27)
InChIKeyLRICYPHZNGLYSF-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.48
Rot. Bonds9

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

N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide (PubChem CID 33074129) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
PubChem CID33074129
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC NameN-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc(OC)c1
InChIInChI=1S/C23H31N3O5/c1-28-19-12-18(13-20(14-19)29-2)24-23(27)16-26-9-7-25(8-10-26)15-17-5-6-21(30-3)22(11-17)31-4/h5-6,11-14H,7-10,15-16H2,1-4H3,(H,24,27)
InChIKeyLRICYPHZNGLYSF-UHFFFAOYSA-N
XLogP2.48
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide (CID 33074129) is N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide is COc1cc(NC(=O)CN2CCN(Cc3ccc(OC)c(OC)c3)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
The InChIKey is LRICYPHZNGLYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-28-19-12-18(13-20(14-19)29-2)24-23(27)16-26-9-7-25(8-10-26)15-17-5-6-21(30-3)22(11-17)31-4/h5-6,11-14H,7-10,15-16H2,1-4H3,(H,24,27).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide?
N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide has a molecular weight of 429.52 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 33074129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).