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

C12H23N3O — CID 3318531

IUPACN-[(1-methylpiperidin-4-ylidene)amino]hexanamide
SMILESCCCCCC(=O)NN=C1CCN(C)CC1
InChIInChI=1S/C12H23N3O/c1-3-4-5-6-12(16)14-13-11-7-9-15(2)10-8-11/h3-10H2,1-2H3,(H,14,16)
InChIKeyFAJXJOQZUPFNLC-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.76
Rot. Bonds5

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

N-[(1-methylpiperidin-4-ylidene)amino]hexanamide (PubChem CID 3318531) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(1-methylpiperidin-4-ylidene)amino]hexanamide.

Molecular Properties

Compound NameN-[(1-methylpiperidin-4-ylidene)amino]hexanamide
PubChem CID3318531
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(1-methylpiperidin-4-ylidene)amino]hexanamide
SMILESCCCCCC(=O)NN=C1CCN(C)CC1
InChIInChI=1S/C12H23N3O/c1-3-4-5-6-12(16)14-13-11-7-9-15(2)10-8-11/h3-10H2,1-2H3,(H,14,16)
InChIKeyFAJXJOQZUPFNLC-UHFFFAOYSA-N
XLogP1.76
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.76
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-methylpiperidin-4-ylidene)amino]hexanamide?
The IUPAC name of N-[(1-methylpiperidin-4-ylidene)amino]hexanamide (CID 3318531) is N-[(1-methylpiperidin-4-ylidene)amino]hexanamide.
What is the SMILES notation for N-[(1-methylpiperidin-4-ylidene)amino]hexanamide?
The canonical SMILES for N-[(1-methylpiperidin-4-ylidene)amino]hexanamide is CCCCCC(=O)NN=C1CCN(C)CC1.
What is the InChIKey of N-[(1-methylpiperidin-4-ylidene)amino]hexanamide?
The InChIKey is FAJXJOQZUPFNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-4-5-6-12(16)14-13-11-7-9-15(2)10-8-11/h3-10H2,1-2H3,(H,14,16).
What are the key properties of N-[(1-methylpiperidin-4-ylidene)amino]hexanamide?
N-[(1-methylpiperidin-4-ylidene)amino]hexanamide has a molecular weight of 225.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperidin-4-ylidene)amino]hexanamide is sourced from PubChem (CID 3318531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).