N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide

C27H38N2O2 — CID 162662565

IUPACN-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide
SMILESCCC(=O)N(CCCCCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C27H38N2O2/c1-3-27(30)29(25-12-14-26(31-2)15-13-25)19-9-5-8-18-28-20-16-24(17-21-28)22-23-10-6-4-7-11-23/h4,6-7,10-15,24H,3,5,8-9,16-22H2,1-2H3
InChIKeyOXMAEVNAPMRMOJ-UHFFFAOYSA-N
MW422.61 g/mol
LogP5.56
Rot. Bonds11

About N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide

N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide (PubChem CID 162662565) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide
PubChem CID162662565
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC NameN-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide
SMILESCCC(=O)N(CCCCCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1
InChIInChI=1S/C27H38N2O2/c1-3-27(30)29(25-12-14-26(31-2)15-13-25)19-9-5-8-18-28-20-16-24(17-21-28)22-23-10-6-4-7-11-23/h4,6-7,10-15,24H,3,5,8-9,16-22H2,1-2H3
InChIKeyOXMAEVNAPMRMOJ-UHFFFAOYSA-N
XLogP5.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 55.56
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-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide (CID 162662565) is N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide is CCC(=O)N(CCCCCN1CCC(Cc2ccccc2)CC1)c1ccc(OC)cc1.
What is the InChIKey of N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide?
The InChIKey is OXMAEVNAPMRMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-3-27(30)29(25-12-14-26(31-2)15-13-25)19-9-5-8-18-28-20-16-24(17-21-28)22-23-10-6-4-7-11-23/h4,6-7,10-15,24H,3,5,8-9,16-22H2,1-2H3.
What are the key properties of N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide?
N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 422.61 g/mol, XLogP of 5.56, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzylpiperidin-1-yl)pentyl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 162662565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).