2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide

C21H26N2O2 — CID 24979128

IUPAC2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-16-7-6-8-20(15-16)25-17(2)21(24)22-18-9-11-19(12-10-18)23-13-4-3-5-14-23/h6-12,15,17H,3-5,13-14H2,1-2H3,(H,22,24)
InChIKeyKPRWXCJWJGGTHC-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.39
Rot. Bonds5

About 2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide

2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 24979128) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID24979128
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCc1cccc(OC(C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-16-7-6-8-20(15-16)25-17(2)21(24)22-18-9-11-19(12-10-18)23-13-4-3-5-14-23/h6-12,15,17H,3-5,13-14H2,1-2H3,(H,22,24)
InChIKeyKPRWXCJWJGGTHC-UHFFFAOYSA-N
XLogP4.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide (CID 24979128) is 2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide is Cc1cccc(OC(C)C(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is KPRWXCJWJGGTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-7-6-8-20(15-16)25-17(2)21(24)22-18-9-11-19(12-10-18)23-13-4-3-5-14-23/h6-12,15,17H,3-5,13-14H2,1-2H3,(H,22,24).
What are the key properties of 2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide?
2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 24979128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).