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

C29H41N3O — CID 24768517

IUPAC6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C29H41N3O/c1-2-11-25-13-6-8-17-28(25)32-22-20-31(21-23-32)19-9-3-4-18-29(33)30-27-16-10-14-24-12-5-7-15-26(24)27/h5-8,12-13,15,17,27H,2-4,9-11,14,16,18-23H2,1H3,(H,30,33)
InChIKeyIIEKSILFYZPUHU-UHFFFAOYSA-N
MW447.67 g/mol
LogP5.52
Rot. Bonds10

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

6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 24768517) has the molecular formula C29H41N3O and a molecular weight of 447.67 g/mol. Its IUPAC name is 6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID24768517
Molecular FormulaC29H41N3O
Molecular Weight447.67 g/mol
Exact Mass447.32
IUPAC Name6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C29H41N3O/c1-2-11-25-13-6-8-17-28(25)32-22-20-31(21-23-32)19-9-3-4-18-29(33)30-27-16-10-14-24-12-5-7-15-26(24)27/h5-8,12-13,15,17,27H,2-4,9-11,14,16,18-23H2,1H3,(H,30,33)
InChIKeyIIEKSILFYZPUHU-UHFFFAOYSA-N
XLogP5.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.67
LogP ≤ 55.52
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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Related Compounds

1-Piperazinehexanamide, 4-(2-(methylthio)phenyl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-, hydrochloride (1:1)
CID 11225543
N-(1-Naphthyl)hexanamide
CID 532117
6-{4-[2-(methylsulfanyl)phenyl]piperazin-1-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11224758
6-(4-([1,1'-biphenyl]-2-yl)piperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 23643664
4-(1,1'-Biphenyl)-2-yl-N-((4-cyanophenyl)methyl)-1-piperazinehexanamide
CID 25107716
3-Phenylpropanoylfentanyl
CID 137700126
Darenzepine
CID 9819661
6-{4-[2-(dimethylamino)phenyl]piperazin-1-yl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 23643870
N-Benzyl-4-(2-diphenyl)-1-piperazinehexanamide
CID 25107518
6-[4-(2-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11282296
6-[4-(2-methylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11785183
N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidine-4-carboxamide
CID 86276129

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 24768517) is 6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is CCCc1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is IIEKSILFYZPUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41N3O/c1-2-11-25-13-6-8-17-28(25)32-22-20-31(21-23-32)19-9-3-4-18-29(33)30-27-16-10-14-24-12-5-7-15-26(24)27/h5-8,12-13,15,17,27H,2-4,9-11,14,16,18-23H2,1H3,(H,30,33).
What are the key properties of 6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 447.67 g/mol, XLogP of 5.52, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-propylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 24768517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).