1-decanoylpiperidine-3-carboperoxoic acid

C16H29NO4 — CID 19094881

IUPAC1-decanoylpiperidine-3-carboperoxoic acid
SMILESCCCCCCCCCC(=O)N1CCCC(C(=O)OO)C1
InChIInChI=1S/C16H29NO4/c1-2-3-4-5-6-7-8-11-15(18)17-12-9-10-14(13-17)16(19)21-20/h14,20H,2-13H2,1H3
InChIKeyYNIYAMPCVIDMBC-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.38
Rot. Bonds9

About 1-decanoylpiperidine-3-carboperoxoic acid

1-decanoylpiperidine-3-carboperoxoic acid (PubChem CID 19094881) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-decanoylpiperidine-3-carboperoxoic acid.

Molecular Properties

Compound Name1-decanoylpiperidine-3-carboperoxoic acid
PubChem CID19094881
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name1-decanoylpiperidine-3-carboperoxoic acid
SMILESCCCCCCCCCC(=O)N1CCCC(C(=O)OO)C1
InChIInChI=1S/C16H29NO4/c1-2-3-4-5-6-7-8-11-15(18)17-12-9-10-14(13-17)16(19)21-20/h14,20H,2-13H2,1H3
InChIKeyYNIYAMPCVIDMBC-UHFFFAOYSA-N
XLogP3.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
N,N-dimethyl-1-pentanoylpiperidine-3-carboxamide
CID 60601624
methyl 1-(4-hydroxybutanoyl)piperidine-3-carboxylate
CID 115538681
methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
CID 78918849
5-(3-methoxycarbonylpiperidin-1-yl)-5-oxopentanoic acid
CID 115534000
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
6-(azepan-1-yl)-6-oxohexanamide;dodecane
CID 174982677

Frequently Asked Questions

What is the IUPAC name of 1-decanoylpiperidine-3-carboperoxoic acid?
The IUPAC name of 1-decanoylpiperidine-3-carboperoxoic acid (CID 19094881) is 1-decanoylpiperidine-3-carboperoxoic acid.
What is the SMILES notation for 1-decanoylpiperidine-3-carboperoxoic acid?
The canonical SMILES for 1-decanoylpiperidine-3-carboperoxoic acid is CCCCCCCCCC(=O)N1CCCC(C(=O)OO)C1.
What is the InChIKey of 1-decanoylpiperidine-3-carboperoxoic acid?
The InChIKey is YNIYAMPCVIDMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-2-3-4-5-6-7-8-11-15(18)17-12-9-10-14(13-17)16(19)21-20/h14,20H,2-13H2,1H3.
What are the key properties of 1-decanoylpiperidine-3-carboperoxoic acid?
1-decanoylpiperidine-3-carboperoxoic acid has a molecular weight of 299.41 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decanoylpiperidine-3-carboperoxoic acid is sourced from PubChem (CID 19094881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).