6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide

C18H28N2O2 — CID 119387370

IUPAC6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide
SMILESCOc1ccc(CCCCCC(=O)NC2CCNCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-22-17-9-7-15(8-10-17)5-3-2-4-6-18(21)20-16-11-13-19-14-12-16/h7-10,16,19H,2-6,11-14H2,1H3,(H,20,21)
InChIKeyZTFVXFOLMDIAHT-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.67
Rot. Bonds8

About 6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide

6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide (PubChem CID 119387370) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide
PubChem CID119387370
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide
SMILESCOc1ccc(CCCCCC(=O)NC2CCNCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-22-17-9-7-15(8-10-17)5-3-2-4-6-18(21)20-16-11-13-19-14-12-16/h7-10,16,19H,2-6,11-14H2,1H3,(H,20,21)
InChIKeyZTFVXFOLMDIAHT-UHFFFAOYSA-N
XLogP2.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.67
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 6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide?
The IUPAC name of 6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide (CID 119387370) is 6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide.
What is the SMILES notation for 6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide?
The canonical SMILES for 6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide is COc1ccc(CCCCCC(=O)NC2CCNCC2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide?
The InChIKey is ZTFVXFOLMDIAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-22-17-9-7-15(8-10-17)5-3-2-4-6-18(21)20-16-11-13-19-14-12-16/h7-10,16,19H,2-6,11-14H2,1H3,(H,20,21).
What are the key properties of 6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide?
6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide has a molecular weight of 304.43 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-N-piperidin-4-ylhexanamide is sourced from PubChem (CID 119387370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).