6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide

C22H29N3O — CID 46830770

IUPAC6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide
SMILESO=C(CCCCCN1CCCCC1)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C22H29N3O/c26-22(9-3-1-4-15-25-16-5-2-6-17-25)24-21-12-10-19(11-13-21)20-8-7-14-23-18-20/h7-8,10-14,18H,1-6,9,15-17H2,(H,24,26)
InChIKeyPKMJVYIJWZQRAF-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.73
Rot. Bonds8

About 6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide

6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide (PubChem CID 46830770) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide.

Molecular Properties

Compound Name6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide
PubChem CID46830770
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide
SMILESO=C(CCCCCN1CCCCC1)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C22H29N3O/c26-22(9-3-1-4-15-25-16-5-2-6-17-25)24-21-12-10-19(11-13-21)20-8-7-14-23-18-20/h7-8,10-14,18H,1-6,9,15-17H2,(H,24,26)
InChIKeyPKMJVYIJWZQRAF-UHFFFAOYSA-N
XLogP4.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.73
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-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide?
The IUPAC name of 6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide (CID 46830770) is 6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide.
What is the SMILES notation for 6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide?
The canonical SMILES for 6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide is O=C(CCCCCN1CCCCC1)Nc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide?
The InChIKey is PKMJVYIJWZQRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c26-22(9-3-1-4-15-25-16-5-2-6-17-25)24-21-12-10-19(11-13-21)20-8-7-14-23-18-20/h7-8,10-14,18H,1-6,9,15-17H2,(H,24,26).
What are the key properties of 6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide?
6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide has a molecular weight of 351.49 g/mol, XLogP of 4.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)hexanamide is sourced from PubChem (CID 46830770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).