6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

C28H39N3O3 — CID 11168662

IUPAC6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCOc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3cccc(OC)c32)CC1
InChIInChI=1S/C28H39N3O3/c1-33-25-14-6-5-13-24(25)31-20-18-30(19-21-31)17-7-3-4-16-27(32)29-23-12-8-10-22-11-9-15-26(34-2)28(22)23/h5-6,9,11,13-15,23H,3-4,7-8,10,12,16-21H2,1-2H3,(H,29,32)
InChIKeyPMRDKFPBXSXGDW-UHFFFAOYSA-N
MW465.64 g/mol
LogP4.58
Rot. Bonds10

About 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 11168662) has the molecular formula C28H39N3O3 and a molecular weight of 465.64 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID11168662
Molecular FormulaC28H39N3O3
Molecular Weight465.64 g/mol
Exact Mass465.30
IUPAC Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCOc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3cccc(OC)c32)CC1
InChIInChI=1S/C28H39N3O3/c1-33-25-14-6-5-13-24(25)31-20-18-30(19-21-31)17-7-3-4-16-27(32)29-23-12-8-10-22-11-9-15-26(34-2)28(22)23/h5-6,9,11,13-15,23H,3-4,7-8,10,12,16-21H2,1-2H3,(H,29,32)
InChIKeyPMRDKFPBXSXGDW-UHFFFAOYSA-N
XLogP4.58
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.64
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 11168662) is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is COc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3cccc(OC)c32)CC1.
What is the InChIKey of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is PMRDKFPBXSXGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O3/c1-33-25-14-6-5-13-24(25)31-20-18-30(19-21-31)17-7-3-4-16-27(32)29-23-12-8-10-22-11-9-15-26(34-2)28(22)23/h5-6,9,11,13-15,23H,3-4,7-8,10,12,16-21H2,1-2H3,(H,29,32).
What are the key properties of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 465.64 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 11168662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).