N-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide

C32H39N3O2 — CID 53231344

IUPACN-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc(NC(=O)CCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C32H39N3O2/c1-34(24-26-10-4-2-5-11-26)25-27-13-15-28(16-14-27)32(37)29-17-19-30(20-18-29)33-31(36)12-6-9-23-35-21-7-3-8-22-35/h2,4-5,10-11,13-20H,3,6-9,12,21-25H2,1H3,(H,33,36)
InChIKeyNBHYLXBADHTHTJ-UHFFFAOYSA-N
MW497.68 g/mol
LogP6.14
Rot. Bonds12

About N-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide

N-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide (PubChem CID 53231344) has the molecular formula C32H39N3O2 and a molecular weight of 497.68 g/mol. Its IUPAC name is N-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide.

Molecular Properties

Compound NameN-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide
PubChem CID53231344
Molecular FormulaC32H39N3O2
Molecular Weight497.68 g/mol
Exact Mass497.30
IUPAC NameN-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide
SMILESCN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc(NC(=O)CCCCN3CCCCC3)cc2)cc1
InChIInChI=1S/C32H39N3O2/c1-34(24-26-10-4-2-5-11-26)25-27-13-15-28(16-14-27)32(37)29-17-19-30(20-18-29)33-31(36)12-6-9-23-35-21-7-3-8-22-35/h2,4-5,10-11,13-20H,3,6-9,12,21-25H2,1H3,(H,33,36)
InChIKeyNBHYLXBADHTHTJ-UHFFFAOYSA-N
XLogP6.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.68
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide?
The IUPAC name of N-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide (CID 53231344) is N-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide.
What is the SMILES notation for N-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide?
The canonical SMILES for N-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide is CN(Cc1ccccc1)Cc1ccc(C(=O)c2ccc(NC(=O)CCCCN3CCCCC3)cc2)cc1.
What is the InChIKey of N-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide?
The InChIKey is NBHYLXBADHTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O2/c1-34(24-26-10-4-2-5-11-26)25-27-13-15-28(16-14-27)32(37)29-17-19-30(20-18-29)33-31(36)12-6-9-23-35-21-7-3-8-22-35/h2,4-5,10-11,13-20H,3,6-9,12,21-25H2,1H3,(H,33,36).
What are the key properties of N-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide?
N-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide has a molecular weight of 497.68 g/mol, XLogP of 6.14, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[benzyl(methyl)amino]methyl]benzoyl]phenyl]-5-piperidin-1-ylpentanamide is sourced from PubChem (CID 53231344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).