6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

C26H35N3O — CID 11431530

IUPAC6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccc2)CC1)NC1CCCc2ccccc21
InChIInChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
InChIKeyOPNMLXKOFJADTH-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.56
Rot. Bonds8

About 6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide

6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 11431530) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID11431530
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC Name6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccc2)CC1)NC1CCCc2ccccc21
InChIInChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30)
InChIKeyOPNMLXKOFJADTH-UHFFFAOYSA-N
XLogP4.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.56
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-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 11431530) is 6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is O=C(CCCCCN1CCN(c2ccccc2)CC1)NC1CCCc2ccccc21.
What is the InChIKey of 6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is OPNMLXKOFJADTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c30-26(27-25-15-9-11-22-10-6-7-14-24(22)25)16-5-2-8-17-28-18-20-29(21-19-28)23-12-3-1-4-13-23/h1,3-4,6-7,10,12-14,25H,2,5,8-9,11,15-21H2,(H,27,30).
What are the key properties of 6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 405.59 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 11431530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).