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

C18H27N3O — CID 3385093

IUPACN-[(1-benzylpiperidin-4-ylidene)amino]hexanamide
SMILESCCCCCC(=O)NN=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H27N3O/c1-2-3-5-10-18(22)20-19-17-11-13-21(14-12-17)15-16-8-6-4-7-9-16/h4,6-9H,2-3,5,10-15H2,1H3,(H,20,22)
InChIKeyZUBWSTBDSOTOEB-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.33
Rot. Bonds7

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

N-[(1-benzylpiperidin-4-ylidene)amino]hexanamide (PubChem CID 3385093) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-ylidene)amino]hexanamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-ylidene)amino]hexanamide
PubChem CID3385093
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN-[(1-benzylpiperidin-4-ylidene)amino]hexanamide
SMILESCCCCCC(=O)NN=C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C18H27N3O/c1-2-3-5-10-18(22)20-19-17-11-13-21(14-12-17)15-16-8-6-4-7-9-16/h4,6-9H,2-3,5,10-15H2,1H3,(H,20,22)
InChIKeyZUBWSTBDSOTOEB-UHFFFAOYSA-N
XLogP3.33
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.33
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]hexanamide?
The IUPAC name of N-[(1-benzylpiperidin-4-ylidene)amino]hexanamide (CID 3385093) is N-[(1-benzylpiperidin-4-ylidene)amino]hexanamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-ylidene)amino]hexanamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-ylidene)amino]hexanamide is CCCCCC(=O)NN=C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-ylidene)amino]hexanamide?
The InChIKey is ZUBWSTBDSOTOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-2-3-5-10-18(22)20-19-17-11-13-21(14-12-17)15-16-8-6-4-7-9-16/h4,6-9H,2-3,5,10-15H2,1H3,(H,20,22).
What are the key properties of N-[(1-benzylpiperidin-4-ylidene)amino]hexanamide?
N-[(1-benzylpiperidin-4-ylidene)amino]hexanamide has a molecular weight of 301.43 g/mol, XLogP of 3.33, 7 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]hexanamide is sourced from PubChem (CID 3385093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).