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

C25H34N4O — CID 24768525

IUPAC6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccn2)CC1)NC1CCCc2ccccc21
InChIInChI=1S/C25H34N4O/c30-25(27-23-12-8-10-21-9-3-4-11-22(21)23)14-2-1-7-16-28-17-19-29(20-18-28)24-13-5-6-15-26-24/h3-6,9,11,13,15,23H,1-2,7-8,10,12,14,16-20H2,(H,27,30)
InChIKeyXJYAXSYLDGSUII-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.96
Rot. Bonds8

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

6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (PubChem CID 24768525) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.

Molecular Properties

Compound Name6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
PubChem CID24768525
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccn2)CC1)NC1CCCc2ccccc21
InChIInChI=1S/C25H34N4O/c30-25(27-23-12-8-10-21-9-3-4-11-22(21)23)14-2-1-7-16-28-17-19-29(20-18-28)24-13-5-6-15-26-24/h3-6,9,11,13,15,23H,1-2,7-8,10,12,14,16-20H2,(H,27,30)
InChIKeyXJYAXSYLDGSUII-UHFFFAOYSA-N
XLogP3.96
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.96
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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Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The IUPAC name of 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide (CID 24768525) is 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide.
What is the SMILES notation for 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The canonical SMILES for 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is O=C(CCCCCN1CCN(c2ccccn2)CC1)NC1CCCc2ccccc21.
What is the InChIKey of 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
The InChIKey is XJYAXSYLDGSUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c30-25(27-23-12-8-10-21-9-3-4-11-22(21)23)14-2-1-7-16-28-17-19-29(20-18-28)24-13-5-6-15-26-24/h3-6,9,11,13,15,23H,1-2,7-8,10,12,14,16-20H2,(H,27,30).
What are the key properties of 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide?
6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide has a molecular weight of 406.57 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridin-2-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)hexanamide is sourced from PubChem (CID 24768525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).