4-methyl-1-octanoylpiperidine-4-carbonitrile

C15H26N2O — CID 113364826

IUPAC4-methyl-1-octanoylpiperidine-4-carbonitrile
SMILESCCCCCCCC(=O)N1CCC(C)(C#N)CC1
InChIInChI=1S/C15H26N2O/c1-3-4-5-6-7-8-14(18)17-11-9-15(2,13-16)10-12-17/h3-12H2,1-2H3
InChIKeyKJOJDYGLZMNGOC-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.50
Rot. Bonds6

About 4-methyl-1-octanoylpiperidine-4-carbonitrile

4-methyl-1-octanoylpiperidine-4-carbonitrile (PubChem CID 113364826) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-methyl-1-octanoylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-octanoylpiperidine-4-carbonitrile
PubChem CID113364826
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-methyl-1-octanoylpiperidine-4-carbonitrile
SMILESCCCCCCCC(=O)N1CCC(C)(C#N)CC1
InChIInChI=1S/C15H26N2O/c1-3-4-5-6-7-8-14(18)17-11-9-15(2,13-16)10-12-17/h3-12H2,1-2H3
InChIKeyKJOJDYGLZMNGOC-UHFFFAOYSA-N
XLogP3.50
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-1-octanoylpiperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-heptanoyl-4-methylsulfanylpiperidine-4-carbonitrile
CID 114752733
1-(4-hydroxy-4-methylpiperidin-1-yl)nonan-1-one
CID 80707384
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-hydroxy-4-methylazepan-1-yl)heptan-1-one
CID 107406036
1-[4-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
CID 115304579
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-decanoylpiperidine-4-carbonitrile
CID 49062541
1-(4-hydroxy-4-methylazepan-1-yl)hexan-1-one
CID 107406032
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089
1-(4-octadec-9-enoylpiperazin-1-yl)octadec-9-en-1-one
CID 54491403
1-hexanoylpiperidine-4-carbonitrile
CID 49062755

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-octanoylpiperidine-4-carbonitrile?
The IUPAC name of 4-methyl-1-octanoylpiperidine-4-carbonitrile (CID 113364826) is 4-methyl-1-octanoylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-methyl-1-octanoylpiperidine-4-carbonitrile?
The canonical SMILES for 4-methyl-1-octanoylpiperidine-4-carbonitrile is CCCCCCCC(=O)N1CCC(C)(C#N)CC1.
What is the InChIKey of 4-methyl-1-octanoylpiperidine-4-carbonitrile?
The InChIKey is KJOJDYGLZMNGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-4-5-6-7-8-14(18)17-11-9-15(2,13-16)10-12-17/h3-12H2,1-2H3.
What are the key properties of 4-methyl-1-octanoylpiperidine-4-carbonitrile?
4-methyl-1-octanoylpiperidine-4-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-octanoylpiperidine-4-carbonitrile is sourced from PubChem (CID 113364826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).