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

C28H40N4O — CID 23643870

IUPAC6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C28H40N4O/c1-30(2)26-15-7-8-16-27(26)32-21-19-31(20-22-32)18-9-3-4-17-28(33)29-25-14-10-12-23-11-5-6-13-24(23)25/h5-8,11,13,15-16,25H,3-4,9-10,12,14,17-22H2,1-2H3,(H,29,33)
InChIKeyAYPZPRUFAPTKJJ-UHFFFAOYSA-N
MW448.66 g/mol
LogP4.63
Rot. Bonds9

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

6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 23643870) has the molecular formula C28H40N4O and a molecular weight of 448.66 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID23643870
Molecular FormulaC28H40N4O
Molecular Weight448.66 g/mol
Exact Mass448.32
IUPAC Name6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C28H40N4O/c1-30(2)26-15-7-8-16-27(26)32-21-19-31(20-22-32)18-9-3-4-17-28(33)29-25-14-10-12-23-11-5-6-13-24(23)25/h5-8,11,13,15-16,25H,3-4,9-10,12,14,17-22H2,1-2H3,(H,29,33)
InChIKeyAYPZPRUFAPTKJJ-UHFFFAOYSA-N
XLogP4.63
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.66
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 11421045
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
3-(4-hydroxypiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110882834
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
4-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
CID 54924290
1-[3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]piperidine-4-carboxamide
CID 56810651
3-phenothiazin-10-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 2338826
3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 112840502
N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
CID 23624796
3-methylsulfanyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51456009
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 10764762
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 23643870) is 6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is CN(C)c1ccccc1N1CCN(CCCCCC(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is AYPZPRUFAPTKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O/c1-30(2)26-15-7-8-16-27(26)32-21-19-31(20-22-32)18-9-3-4-17-28(33)29-25-14-10-12-23-11-5-6-13-24(23)25/h5-8,11,13,15-16,25H,3-4,9-10,12,14,17-22H2,1-2H3,(H,29,33).
What are the key properties of 6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 448.66 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 23643870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).