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

C14H27N3O — CID 3357624

IUPACN-[(1-propylpiperidin-4-ylidene)amino]hexanamide
SMILESCCCCCC(=O)NN=C1CCN(CCC)CC1
InChIInChI=1S/C14H27N3O/c1-3-5-6-7-14(18)16-15-13-8-11-17(10-4-2)12-9-13/h3-12H2,1-2H3,(H,16,18)
InChIKeyAKMIQZHMIFXXPG-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.54
Rot. Bonds7

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

N-[(1-propylpiperidin-4-ylidene)amino]hexanamide (PubChem CID 3357624) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(1-propylpiperidin-4-ylidene)amino]hexanamide.

Molecular Properties

Compound NameN-[(1-propylpiperidin-4-ylidene)amino]hexanamide
PubChem CID3357624
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[(1-propylpiperidin-4-ylidene)amino]hexanamide
SMILESCCCCCC(=O)NN=C1CCN(CCC)CC1
InChIInChI=1S/C14H27N3O/c1-3-5-6-7-14(18)16-15-13-8-11-17(10-4-2)12-9-13/h3-12H2,1-2H3,(H,16,18)
InChIKeyAKMIQZHMIFXXPG-UHFFFAOYSA-N
XLogP2.54
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.54
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-propylpiperidin-4-ylidene)amino]hexanamide?
The IUPAC name of N-[(1-propylpiperidin-4-ylidene)amino]hexanamide (CID 3357624) is N-[(1-propylpiperidin-4-ylidene)amino]hexanamide.
What is the SMILES notation for N-[(1-propylpiperidin-4-ylidene)amino]hexanamide?
The canonical SMILES for N-[(1-propylpiperidin-4-ylidene)amino]hexanamide is CCCCCC(=O)NN=C1CCN(CCC)CC1.
What is the InChIKey of N-[(1-propylpiperidin-4-ylidene)amino]hexanamide?
The InChIKey is AKMIQZHMIFXXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-5-6-7-14(18)16-15-13-8-11-17(10-4-2)12-9-13/h3-12H2,1-2H3,(H,16,18).
What are the key properties of N-[(1-propylpiperidin-4-ylidene)amino]hexanamide?
N-[(1-propylpiperidin-4-ylidene)amino]hexanamide has a molecular weight of 253.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpiperidin-4-ylidene)amino]hexanamide is sourced from PubChem (CID 3357624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).