2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C24H31N3O3 — CID 10716459

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)NC2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C24H31N3O3/c1-29-22-12-6-7-18-19(22)8-5-9-20(18)25-24(28)17-26-13-15-27(16-14-26)21-10-3-4-11-23(21)30-2/h3-4,6-7,10-12,20H,5,8-9,13-17H2,1-2H3,(H,25,28)
InChIKeyXFEVUBTYULCAIB-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.02
Rot. Bonds6

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 10716459) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID10716459
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)NC2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C24H31N3O3/c1-29-22-12-6-7-18-19(22)8-5-9-20(18)25-24(28)17-26-13-15-27(16-14-26)21-10-3-4-11-23(21)30-2/h3-4,6-7,10-12,20H,5,8-9,13-17H2,1-2H3,(H,25,28)
InChIKeyXFEVUBTYULCAIB-UHFFFAOYSA-N
XLogP3.02
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 10716459) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1ccccc1N1CCN(CC(=O)NC2CCCc3c(OC)cccc32)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is XFEVUBTYULCAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-29-22-12-6-7-18-19(22)8-5-9-20(18)25-24(28)17-26-13-15-27(16-14-26)21-10-3-4-11-23(21)30-2/h3-4,6-7,10-12,20H,5,8-9,13-17H2,1-2H3,(H,25,28).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 409.53 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 10716459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).