2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide

C22H28N2O3 — CID 91937896

IUPAC2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCCCN3CCCCC3)cc2O)c1
InChIInChI=1S/C22H28N2O3/c1-17-7-5-8-18(15-17)23-22(26)20-10-9-19(16-21(20)25)27-14-6-13-24-11-3-2-4-12-24/h5,7-10,15-16,25H,2-4,6,11-14H2,1H3,(H,23,26)
InChIKeyMCMVFLOVLROIPK-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.21
Rot. Bonds7

About 2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide

2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide (PubChem CID 91937896) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide
PubChem CID91937896
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCCCN3CCCCC3)cc2O)c1
InChIInChI=1S/C22H28N2O3/c1-17-7-5-8-18(15-17)23-22(26)20-10-9-19(16-21(20)25)27-14-6-13-24-11-3-2-4-12-24/h5,7-10,15-16,25H,2-4,6,11-14H2,1H3,(H,23,26)
InChIKeyMCMVFLOVLROIPK-UHFFFAOYSA-N
XLogP4.21
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.21
H-Bond Donors ≤ 52
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 2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide?
The IUPAC name of 2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide (CID 91937896) is 2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide.
What is the SMILES notation for 2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide?
The canonical SMILES for 2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide is Cc1cccc(NC(=O)c2ccc(OCCCN3CCCCC3)cc2O)c1.
What is the InChIKey of 2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide?
The InChIKey is MCMVFLOVLROIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17-7-5-8-18(15-17)23-22(26)20-10-9-19(16-21(20)25)27-14-6-13-24-11-3-2-4-12-24/h5,7-10,15-16,25H,2-4,6,11-14H2,1H3,(H,23,26).
What are the key properties of 2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide?
2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide has a molecular weight of 368.48 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-methylphenyl)-4-(3-piperidin-1-ylpropoxy)benzamide is sourced from PubChem (CID 91937896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).