4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

C26H35N3O3 — CID 11260739

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESCOc1ccccc1N1CCN(CCCC(=O)NC2CCCc3cccc(OC)c32)CC1
InChIInChI=1S/C26H35N3O3/c1-31-23-12-4-3-11-22(23)29-18-16-28(17-19-29)15-7-14-25(30)27-21-10-5-8-20-9-6-13-24(32-2)26(20)21/h3-4,6,9,11-13,21H,5,7-8,10,14-19H2,1-2H3,(H,27,30)
InChIKeyJFMANZSFYXURGX-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.80
Rot. Bonds8

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide

4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (PubChem CID 11260739) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
PubChem CID11260739
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESCOc1ccccc1N1CCN(CCCC(=O)NC2CCCc3cccc(OC)c32)CC1
InChIInChI=1S/C26H35N3O3/c1-31-23-12-4-3-11-22(23)29-18-16-28(17-19-29)15-7-14-25(30)27-21-10-5-8-20-9-6-13-24(32-2)26(20)21/h3-4,6,9,11-13,21H,5,7-8,10,14-19H2,1-2H3,(H,27,30)
InChIKeyJFMANZSFYXURGX-UHFFFAOYSA-N
XLogP3.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (CID 11260739) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3cccc(OC)c32)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The InChIKey is JFMANZSFYXURGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-31-23-12-4-3-11-22(23)29-18-16-28(17-19-29)15-7-14-25(30)27-21-10-5-8-20-9-6-13-24(32-2)26(20)21/h3-4,6,9,11-13,21H,5,7-8,10,14-19H2,1-2H3,(H,27,30).
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide has a molecular weight of 437.58 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is sourced from PubChem (CID 11260739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).