1-decanoylpiperidine-4-carbonitrile

C16H28N2O — CID 49062541

IUPAC1-decanoylpiperidine-4-carbonitrile
SMILESCCCCCCCCCC(=O)N1CCC(C#N)CC1
InChIInChI=1S/C16H28N2O/c1-2-3-4-5-6-7-8-9-16(19)18-12-10-15(14-17)11-13-18/h15H,2-13H2,1H3
InChIKeyQBOUCQAJHZOXSJ-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.89
Rot. Bonds8

About 1-decanoylpiperidine-4-carbonitrile

1-decanoylpiperidine-4-carbonitrile (PubChem CID 49062541) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 1-decanoylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-decanoylpiperidine-4-carbonitrile
PubChem CID49062541
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name1-decanoylpiperidine-4-carbonitrile
SMILESCCCCCCCCCC(=O)N1CCC(C#N)CC1
InChIInChI=1S/C16H28N2O/c1-2-3-4-5-6-7-8-9-16(19)18-12-10-15(14-17)11-13-18/h15H,2-13H2,1H3
InChIKeyQBOUCQAJHZOXSJ-UHFFFAOYSA-N
XLogP3.89
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexanoylpiperidine-4-carbonitrile
CID 49062755
1-butanoylpiperidine-4-carbonitrile
CID 39237347
1-(3-butylsulfanylpropanoyl)piperidine-4-carbonitrile
CID 84584450
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-(4-ethylpiperidin-1-yl)octan-1-one
CID 166490088
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
1-(4-bromopiperidin-1-yl)decan-1-one
CID 80661862
1-[4-(bromomethyl)piperidin-1-yl]nonan-1-one
CID 80677529
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219
4-methyl-1-octanoylpiperidine-4-carbonitrile
CID 113364826

Frequently Asked Questions

What is the IUPAC name of 1-decanoylpiperidine-4-carbonitrile?
The IUPAC name of 1-decanoylpiperidine-4-carbonitrile (CID 49062541) is 1-decanoylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-decanoylpiperidine-4-carbonitrile?
The canonical SMILES for 1-decanoylpiperidine-4-carbonitrile is CCCCCCCCCC(=O)N1CCC(C#N)CC1.
What is the InChIKey of 1-decanoylpiperidine-4-carbonitrile?
The InChIKey is QBOUCQAJHZOXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-3-4-5-6-7-8-9-16(19)18-12-10-15(14-17)11-13-18/h15H,2-13H2,1H3.
What are the key properties of 1-decanoylpiperidine-4-carbonitrile?
1-decanoylpiperidine-4-carbonitrile has a molecular weight of 264.41 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decanoylpiperidine-4-carbonitrile is sourced from PubChem (CID 49062541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).