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

C28H39N3O — CID 24768516

IUPAC6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C28H39N3O/c1-2-23-11-6-8-16-27(23)31-21-19-30(20-22-31)18-9-3-4-17-28(32)29-26-15-10-13-24-12-5-7-14-25(24)26/h5-8,11-12,14,16,26H,2-4,9-10,13,15,17-22H2,1H3,(H,29,32)
InChIKeyVCNZQKOEJRCPML-UHFFFAOYSA-N
MW433.64 g/mol
LogP5.13
Rot. Bonds9

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

6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 24768516) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is 6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID24768516
Molecular FormulaC28H39N3O
Molecular Weight433.64 g/mol
Exact Mass433.31
IUPAC Name6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C28H39N3O/c1-2-23-11-6-8-16-27(23)31-21-19-30(20-22-31)18-9-3-4-17-28(32)29-26-15-10-13-24-12-5-7-14-25(24)26/h5-8,11-12,14,16,26H,2-4,9-10,13,15,17-22H2,1H3,(H,29,32)
InChIKeyVCNZQKOEJRCPML-UHFFFAOYSA-N
XLogP5.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 55.13
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-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 24768516) is 6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is CCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is VCNZQKOEJRCPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O/c1-2-23-11-6-8-16-27(23)31-21-19-30(20-22-31)18-9-3-4-17-28(32)29-26-15-10-13-24-12-5-7-14-25(24)26/h5-8,11-12,14,16,26H,2-4,9-10,13,15,17-22H2,1H3,(H,29,32).
What are the key properties of 6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 433.64 g/mol, XLogP of 5.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-ethylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 24768516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).