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

C29H36N4O2 — CID 71061887

IUPAC6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide
SMILESCOc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccncc3)CC2)cc1
InChIInChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34)
InChIKeySKEMXKKWOARREN-UHFFFAOYSA-N
MW472.63 g/mol
LogP4.76
Rot. Bonds11

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

6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide (PubChem CID 71061887) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide.

Molecular Properties

Compound Name6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide
PubChem CID71061887
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC Name6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide
SMILESCOc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccncc3)CC2)cc1
InChIInChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34)
InChIKeySKEMXKKWOARREN-UHFFFAOYSA-N
XLogP4.76
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide?
The IUPAC name of 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide (CID 71061887) is 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide.
What is the SMILES notation for 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide?
The canonical SMILES for 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide is COc1ccc(-c2ccccc2N2CCN(CCCCCC(=O)NCc3ccncc3)CC2)cc1.
What is the InChIKey of 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide?
The InChIKey is SKEMXKKWOARREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34).
What are the key properties of 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide?
6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide has a molecular weight of 472.63 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)hexanamide is sourced from PubChem (CID 71061887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).