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

C29H41N3O — CID 23643663

IUPAC6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C29H41N3O/c1-23(2)25-13-7-8-16-28(25)32-21-19-31(20-22-32)18-9-3-4-17-29(33)30-27-15-10-12-24-11-5-6-14-26(24)27/h5-8,11,13-14,16,23,27H,3-4,9-10,12,15,17-22H2,1-2H3,(H,30,33)
InChIKeyCPWLTNLRAGBWKJ-UHFFFAOYSA-N
MW447.67 g/mol
LogP5.69
Rot. Bonds9

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

6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 23643663) has the molecular formula C29H41N3O and a molecular weight of 447.67 g/mol. Its IUPAC name is 6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID23643663
Molecular FormulaC29H41N3O
Molecular Weight447.67 g/mol
Exact Mass447.32
IUPAC Name6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C29H41N3O/c1-23(2)25-13-7-8-16-28(25)32-21-19-31(20-22-32)18-9-3-4-17-29(33)30-27-15-10-12-24-11-5-6-14-26(24)27/h5-8,11,13-14,16,23,27H,3-4,9-10,12,15,17-22H2,1-2H3,(H,30,33)
InChIKeyCPWLTNLRAGBWKJ-UHFFFAOYSA-N
XLogP5.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.67
LogP ≤ 55.69
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-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 23643663) is 6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is CC(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is CPWLTNLRAGBWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O/c1-23(2)25-13-7-8-16-28(25)32-21-19-31(20-22-32)18-9-3-4-17-29(33)30-27-15-10-12-24-11-5-6-14-26(24)27/h5-8,11,13-14,16,23,27H,3-4,9-10,12,15,17-22H2,1-2H3,(H,30,33).
What are the key properties of 6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 447.67 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-propan-2-ylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 23643663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).