methyl 1-(2-oxononanoyl)piperidine-2-carboxylate

C16H27NO4 — CID 146178879

IUPACmethyl 1-(2-oxononanoyl)piperidine-2-carboxylate
SMILESCCCCCCCC(=O)C(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C16H27NO4/c1-3-4-5-6-7-11-14(18)15(19)17-12-9-8-10-13(17)16(20)21-2/h13H,3-12H2,1-2H3
InChIKeyQAFRDCGFZIXIDO-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.47
Rot. Bonds8

About methyl 1-(2-oxononanoyl)piperidine-2-carboxylate

methyl 1-(2-oxononanoyl)piperidine-2-carboxylate (PubChem CID 146178879) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is methyl 1-(2-oxononanoyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-oxononanoyl)piperidine-2-carboxylate
PubChem CID146178879
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Namemethyl 1-(2-oxononanoyl)piperidine-2-carboxylate
SMILESCCCCCCCC(=O)C(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C16H27NO4/c1-3-4-5-6-7-11-14(18)15(19)17-12-9-8-10-13(17)16(20)21-2/h13H,3-12H2,1-2H3
InChIKeyQAFRDCGFZIXIDO-UHFFFAOYSA-N
XLogP2.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-1-hexadecanoylpyrrolidine-2-carboxylate
CID 129080008
methyl (2S)-1-[(Z)-docos-13-enoyl]pyrrolidine-2-carboxylate
CID 70363053
methyl (2R)-1-(butylcarbamoyl)piperidine-2-carboxylate
CID 115536152
methyl (2S)-1-[2-[[2-(decanoylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylate
CID 22294726
methyl 1-octadeca-9,12-dienoylpyrrolidine-2-carboxylate
CID 154068139
(2R)-1-nonanoylpiperidine-2-carboxylic acid
CID 69288124
methyl 1-(2-ethylhexanoyl)piperidine-2-carboxylate
CID 113330634
1-decanoylazepane-2-carboxylic acid
CID 64558604
methyl (2S)-1-[(14R,15R,22S)-22-methyl-14,15-disulfooxyoctacosanoyl]piperidine-2-carboxylate
CID 11377694
methyl (2S)-1-dec-2-enoylpyrrolidine-2-carboxylate
CID 123723615
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-oxononanoyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-oxononanoyl)piperidine-2-carboxylate (CID 146178879) is methyl 1-(2-oxononanoyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-oxononanoyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-oxononanoyl)piperidine-2-carboxylate is CCCCCCCC(=O)C(=O)N1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-(2-oxononanoyl)piperidine-2-carboxylate?
The InChIKey is QAFRDCGFZIXIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-3-4-5-6-7-11-14(18)15(19)17-12-9-8-10-13(17)16(20)21-2/h13H,3-12H2,1-2H3.
What are the key properties of methyl 1-(2-oxononanoyl)piperidine-2-carboxylate?
methyl 1-(2-oxononanoyl)piperidine-2-carboxylate has a molecular weight of 297.39 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-oxononanoyl)piperidine-2-carboxylate is sourced from PubChem (CID 146178879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).