N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide

C26H36N2O2 — CID 162643087

IUPACN-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide
SMILESCCC(=O)N(CCCCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C26H36N2O2/c1-3-26(29)28(24-11-13-25(30-2)14-12-24)18-8-7-17-27-19-15-23(16-20-27)21-22-9-5-4-6-10-22/h4-6,9-14,23H,3,7-8,15-21H2,1-2H3
InChIKeyQSHITXHQSAECLX-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.17
Rot. Bonds10

About N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide

N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide (PubChem CID 162643087) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide
PubChem CID162643087
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC NameN-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide
SMILESCCC(=O)N(CCCCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C26H36N2O2/c1-3-26(29)28(24-11-13-25(30-2)14-12-24)18-8-7-17-27-19-15-23(16-20-27)21-22-9-5-4-6-10-22/h4-6,9-14,23H,3,7-8,15-21H2,1-2H3
InChIKeyQSHITXHQSAECLX-UHFFFAOYSA-N
XLogP5.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.17
H-Bond Donors ≤ 50
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-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide (CID 162643087) is N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide is CCC(=O)N(CCCCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1.
What is the InChIKey of N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is QSHITXHQSAECLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-3-26(29)28(24-11-13-25(30-2)14-12-24)18-8-7-17-27-19-15-23(16-20-27)21-22-9-5-4-6-10-22/h4-6,9-14,23H,3,7-8,15-21H2,1-2H3.
What are the key properties of N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide?
N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 408.59 g/mol, XLogP of 5.17, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidin-1-yl)butyl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 162643087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).