N-[(1-benzylpiperidin-4-ylidene)amino]octanamide

C20H31N3O — CID 4616428

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]octanamide
SMILESCCCCCCCC(=O)NN=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O/c1-2-3-4-5-9-12-20(24)22-21-19-13-15-23(16-14-19)17-18-10-7-6-8-11-18/h6-8,10-11H,2-5,9,12-17H2,1H3,(H,22,24)
InChIKeyAAYMGEXYCUKBRN-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.12
Rot. Bonds9

About N-[(1-benzylpiperidin-4-ylidene)amino]octanamide

N-[(1-benzylpiperidin-4-ylidene)amino]octanamide (PubChem CID 4616428) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]octanamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]octanamide
PubChem CID4616428
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]octanamide
SMILESCCCCCCCC(=O)NN=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H31N3O/c1-2-3-4-5-9-12-20(24)22-21-19-13-15-23(16-14-19)17-18-10-7-6-8-11-18/h6-8,10-11H,2-5,9,12-17H2,1H3,(H,22,24)
InChIKeyAAYMGEXYCUKBRN-UHFFFAOYSA-N
XLogP4.12
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]octanamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]octanamide (CID 4616428) is N-[(1-benzylpiperidin-4-ylidene)amino]octanamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]octanamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]octanamide is CCCCCCCC(=O)NN=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]octanamide?
The InChIKey is AAYMGEXYCUKBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-2-3-4-5-9-12-20(24)22-21-19-13-15-23(16-14-19)17-18-10-7-6-8-11-18/h6-8,10-11H,2-5,9,12-17H2,1H3,(H,22,24).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]octanamide?
N-[(1-benzylpiperidin-4-ylidene)amino]octanamide has a molecular weight of 329.49 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-ylidene)amino]octanamide is sourced from PubChem (CID 4616428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).