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

C16H31N3O — CID 4109987

IUPACN-[(1-propylpiperidin-4-ylidene)amino]octanamide
SMILESCCCCCCCC(=O)NN=C1CCN(CCC)CC1
InChIInChI=1S/C16H31N3O/c1-3-5-6-7-8-9-16(20)18-17-15-10-13-19(12-4-2)14-11-15/h3-14H2,1-2H3,(H,18,20)
InChIKeyFJXDTDIQWFXSTF-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.32
Rot. Bonds9

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

N-[(1-propylpiperidin-4-ylidene)amino]octanamide (PubChem CID 4109987) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[(1-propylpiperidin-4-ylidene)amino]octanamide.

Molecular Properties

Compound NameN-[(1-propylpiperidin-4-ylidene)amino]octanamide
PubChem CID4109987
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[(1-propylpiperidin-4-ylidene)amino]octanamide
SMILESCCCCCCCC(=O)NN=C1CCN(CCC)CC1
InChIInChI=1S/C16H31N3O/c1-3-5-6-7-8-9-16(20)18-17-15-10-13-19(12-4-2)14-11-15/h3-14H2,1-2H3,(H,18,20)
InChIKeyFJXDTDIQWFXSTF-UHFFFAOYSA-N
XLogP3.32
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.32
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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Related Compounds

N-(cyclododecylideneamino)dodecanamide
CID 4575376
N-[(1-propan-2-ylpiperidin-4-ylidene)amino]pentanamide
CID 3293640
N-[(4-propylcyclohexylidene)amino]undecanamide
CID 4226269
N-(cycloheptylideneamino)pentanamide
CID 3533607
N,N'-bis(cyclohexylideneamino)heptanediamide
CID 4048049
N,N'-bis[(1-benzylpiperidin-4-ylidene)amino]hexanediamide
CID 4198414
N,N'-bis[(4-methylcyclohexylidene)amino]heptanediamide
CID 3519656
N-[(3-methylcyclohexylidene)amino]hexanamide
CID 3593486
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
8-(2-cycloheptylidenehydrazinyl)-8-oxooctanoic acid
CID 23948167
5-(4-propylpiperazin-1-yl)pentanehydrazide
CID 63568646
1-pentadecylpiperidin-4-one
CID 10267366

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpiperidin-4-ylidene)amino]octanamide?
The IUPAC name of N-[(1-propylpiperidin-4-ylidene)amino]octanamide (CID 4109987) is N-[(1-propylpiperidin-4-ylidene)amino]octanamide.
What is the SMILES notation for N-[(1-propylpiperidin-4-ylidene)amino]octanamide?
The canonical SMILES for N-[(1-propylpiperidin-4-ylidene)amino]octanamide is CCCCCCCC(=O)NN=C1CCN(CCC)CC1.
What is the InChIKey of N-[(1-propylpiperidin-4-ylidene)amino]octanamide?
The InChIKey is FJXDTDIQWFXSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-5-6-7-8-9-16(20)18-17-15-10-13-19(12-4-2)14-11-15/h3-14H2,1-2H3,(H,18,20).
What are the key properties of N-[(1-propylpiperidin-4-ylidene)amino]octanamide?
N-[(1-propylpiperidin-4-ylidene)amino]octanamide has a molecular weight of 281.44 g/mol, XLogP of 3.32, 9 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]octanamide is sourced from PubChem (CID 4109987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).