6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide

C28H34N4O — CID 25107520

IUPAC6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccncc1
InChIInChI=1S/C28H34N4O/c33-28(30-23-24-14-16-29-17-15-24)13-5-2-8-18-31-19-21-32(22-20-31)27-12-7-6-11-26(27)25-9-3-1-4-10-25/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-23H2,(H,30,33)
InChIKeyRIZPYDSXCAUQAK-UHFFFAOYSA-N
MW442.61 g/mol
LogP4.75
Rot. Bonds10

About 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide

6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide (PubChem CID 25107520) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide
PubChem CID25107520
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Name6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide
SMILESO=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccncc1
InChIInChI=1S/C28H34N4O/c33-28(30-23-24-14-16-29-17-15-24)13-5-2-8-18-31-19-21-32(22-20-31)27-12-7-6-11-26(27)25-9-3-1-4-10-25/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-23H2,(H,30,33)
InChIKeyRIZPYDSXCAUQAK-UHFFFAOYSA-N
XLogP4.75
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 54.75
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-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide?
The IUPAC name of 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide (CID 25107520) is 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide.
What is the SMILES notation for 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide?
The canonical SMILES for 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide is O=C(CCCCCN1CCN(c2ccccc2-c2ccccc2)CC1)NCc1ccncc1.
What is the InChIKey of 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide?
The InChIKey is RIZPYDSXCAUQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c33-28(30-23-24-14-16-29-17-15-24)13-5-2-8-18-31-19-21-32(22-20-31)27-12-7-6-11-26(27)25-9-3-1-4-10-25/h1,3-4,6-7,9-12,14-17H,2,5,8,13,18-23H2,(H,30,33).
What are the key properties of 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide?
6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide has a molecular weight of 442.61 g/mol, XLogP of 4.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-phenylphenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide is sourced from PubChem (CID 25107520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).