6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

C30H43N3O — CID 24768519

IUPAC6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCC(C)(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C30H43N3O/c1-30(2,3)26-15-8-9-17-28(26)33-22-20-32(21-23-33)19-10-4-5-18-29(34)31-27-16-11-13-24-12-6-7-14-25(24)27/h6-9,12,14-15,17,27H,4-5,10-11,13,16,18-23H2,1-3H3,(H,31,34)
InChIKeyBLCHSWWAUDRFLL-UHFFFAOYSA-N
MW461.69 g/mol
LogP5.86
Rot. Bonds8

About 6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 24768519) has the molecular formula C30H43N3O and a molecular weight of 461.69 g/mol. Its IUPAC name is 6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID24768519
Molecular FormulaC30H43N3O
Molecular Weight461.69 g/mol
Exact Mass461.34
IUPAC Name6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCC(C)(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C30H43N3O/c1-30(2,3)26-15-8-9-17-28(26)33-22-20-32(21-23-33)19-10-4-5-18-29(34)31-27-16-11-13-24-12-6-7-14-25(24)27/h6-9,12,14-15,17,27H,4-5,10-11,13,16,18-23H2,1-3H3,(H,31,34)
InChIKeyBLCHSWWAUDRFLL-UHFFFAOYSA-N
XLogP5.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.69
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 24768519) is 6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is CC(C)(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is BLCHSWWAUDRFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O/c1-30(2,3)26-15-8-9-17-28(26)33-22-20-32(21-23-33)19-10-4-5-18-29(34)31-27-16-11-13-24-12-6-7-14-25(24)27/h6-9,12,14-15,17,27H,4-5,10-11,13,16,18-23H2,1-3H3,(H,31,34).
What are the key properties of 6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 461.69 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-tert-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 24768519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).