N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide

C24H31N3O2 — CID 45484305

IUPACN-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide
SMILESCC(=O)Nc1cccc(-c2ccc(NC(=O)CCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C24H31N3O2/c1-19(28)25-23-9-7-8-21(18-23)20-11-13-22(14-12-20)26-24(29)10-3-6-17-27-15-4-2-5-16-27/h7-9,11-14,18H,2-6,10,15-17H2,1H3,(H,25,28)(H,26,29)
InChIKeyGPSMKVSMJZWMLK-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.91
Rot. Bonds8

About N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide

N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide (PubChem CID 45484305) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide
PubChem CID45484305
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide
SMILESCC(=O)Nc1cccc(-c2ccc(NC(=O)CCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C24H31N3O2/c1-19(28)25-23-9-7-8-21(18-23)20-11-13-22(14-12-20)26-24(29)10-3-6-17-27-15-4-2-5-16-27/h7-9,11-14,18H,2-6,10,15-17H2,1H3,(H,25,28)(H,26,29)
InChIKeyGPSMKVSMJZWMLK-UHFFFAOYSA-N
XLogP4.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
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 N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide?
The IUPAC name of N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide (CID 45484305) is N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide.
What is the SMILES notation for N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide?
The canonical SMILES for N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide is CC(=O)Nc1cccc(-c2ccc(NC(=O)CCCCN3CCCCC3)cc2)c1.
What is the InChIKey of N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide?
The InChIKey is GPSMKVSMJZWMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-19(28)25-23-9-7-8-21(18-23)20-11-13-22(14-12-20)26-24(29)10-3-6-17-27-15-4-2-5-16-27/h7-9,11-14,18H,2-6,10,15-17H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide?
N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide has a molecular weight of 393.53 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-acetamidophenyl)phenyl]-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 45484305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).