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

C28H37N3O2 — CID 11421045

IUPAC6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCC(=O)c1cccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1
InChIInChI=1S/C28H37N3O2/c1-22(32)24-11-7-12-25(21-24)31-19-17-30(18-20-31)16-6-2-3-15-28(33)29-27-14-8-10-23-9-4-5-13-26(23)27/h4-5,7,9,11-13,21,27H,2-3,6,8,10,14-20H2,1H3,(H,29,33)
InChIKeyFRXNQPUFVQPPJY-UHFFFAOYSA-N
MW447.62 g/mol
LogP4.77
Rot. Bonds9

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

6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 11421045) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is 6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID11421045
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC Name6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESCC(=O)c1cccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1
InChIInChI=1S/C28H37N3O2/c1-22(32)24-11-7-12-25(21-24)31-19-17-30(18-20-31)16-6-2-3-15-28(33)29-27-14-8-10-23-9-4-5-13-26(23)27/h4-5,7,9,11-13,21,27H,2-3,6,8,10,14-20H2,1H3,(H,29,33)
InChIKeyFRXNQPUFVQPPJY-UHFFFAOYSA-N
XLogP4.77
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.77
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-[2-(dimethylamino)phenyl]piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
CID 23643870
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]dodecanamide
CID 23624795
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 103601650
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 8548196
4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
CID 151875161
3-[(3-acetylphenyl)sulfonylamino]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 30939297
3-(4-hydroxypiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 110882834
4-(4-acetylphenoxy)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 2125241
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
(3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 41244294
3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 112840502

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 11421045) is 6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is CC(=O)c1cccc(N2CCN(CCCCCC(=O)NC3CCCc4ccccc43)CC2)c1.
What is the InChIKey of 6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is FRXNQPUFVQPPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-22(32)24-11-7-12-25(21-24)31-19-17-30(18-20-31)16-6-2-3-15-28(33)29-27-14-8-10-23-9-4-5-13-26(23)27/h4-5,7,9,11-13,21,27H,2-3,6,8,10,14-20H2,1H3,(H,29,33).
What are the key properties of 6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 447.62 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-acetylphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 11421045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).