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

C30H43N3O — CID 24768518

IUPAC6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C30H43N3O/c1-2-3-12-26-14-7-9-18-29(26)33-23-21-32(22-24-33)20-10-4-5-19-30(34)31-28-17-11-15-25-13-6-8-16-27(25)28/h6-9,13-14,16,18,28H,2-5,10-12,15,17,19-24H2,1H3,(H,31,34)
InChIKeyGLAJHBSVLZCXST-UHFFFAOYSA-N
MW461.69 g/mol
LogP5.91
Rot. Bonds11

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

6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 24768518) has the molecular formula C30H43N3O and a molecular weight of 461.69 g/mol. Its IUPAC name is 6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID24768518
Molecular FormulaC30H43N3O
Molecular Weight461.69 g/mol
Exact Mass461.34
IUPAC Name6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C30H43N3O/c1-2-3-12-26-14-7-9-18-29(26)33-23-21-32(22-24-33)20-10-4-5-19-30(34)31-28-17-11-15-25-13-6-8-16-27(25)28/h6-9,13-14,16,18,28H,2-5,10-12,15,17,19-24H2,1H3,(H,31,34)
InChIKeyGLAJHBSVLZCXST-UHFFFAOYSA-N
XLogP5.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.69
LogP ≤ 55.91
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-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 24768518) is 6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is CCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is GLAJHBSVLZCXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O/c1-2-3-12-26-14-7-9-18-29(26)33-23-21-32(22-24-33)20-10-4-5-19-30(34)31-28-17-11-15-25-13-6-8-16-27(25)28/h6-9,13-14,16,18,28H,2-5,10-12,15,17,19-24H2,1H3,(H,31,34).
What are the key properties of 6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 461.69 g/mol, XLogP of 5.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-butylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 24768518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).