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

C25H33N3O3 — CID 10740969

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)NC2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)26-25(29)13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29)
InChIKeyHGOXUQUWFDSTAA-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.41
Rot. Bonds7

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

3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 10740969) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID10740969
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCOc1ccccc1N1CCN(CCC(=O)NC2CCCc3c(OC)cccc32)CC1
InChIInChI=1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)26-25(29)13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29)
InChIKeyHGOXUQUWFDSTAA-UHFFFAOYSA-N
XLogP3.41
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 10740969) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is COc1ccccc1N1CCN(CCC(=O)NC2CCCc3c(OC)cccc32)CC1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is HGOXUQUWFDSTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-30-23-12-6-7-19-20(23)8-5-9-21(19)26-25(29)13-14-27-15-17-28(18-16-27)22-10-3-4-11-24(22)31-2/h3-4,6-7,10-12,21H,5,8-9,13-18H2,1-2H3,(H,26,29).
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 423.56 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 10740969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).