butyl 1-octanoylpiperidine-4-carboxylate

C18H33NO3 — CID 91728400

IUPACbutyl 1-octanoylpiperidine-4-carboxylate
SMILESCCCCCCCC(=O)N1CCC(C(=O)OCCCC)CC1
InChIInChI=1S/C18H33NO3/c1-3-5-7-8-9-10-17(20)19-13-11-16(12-14-19)18(21)22-15-6-4-2/h16H,3-15H2,1-2H3
InChIKeyZJAZLRTWQAOHLI-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.93
Rot. Bonds10

About butyl 1-octanoylpiperidine-4-carboxylate

butyl 1-octanoylpiperidine-4-carboxylate (PubChem CID 91728400) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is butyl 1-octanoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namebutyl 1-octanoylpiperidine-4-carboxylate
PubChem CID91728400
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC Namebutyl 1-octanoylpiperidine-4-carboxylate
SMILESCCCCCCCC(=O)N1CCC(C(=O)OCCCC)CC1
InChIInChI=1S/C18H33NO3/c1-3-5-7-8-9-10-17(20)19-13-11-16(12-14-19)18(21)22-15-6-4-2/h16H,3-15H2,1-2H3
InChIKeyZJAZLRTWQAOHLI-UHFFFAOYSA-N
XLogP3.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptyl 1-(3-chloropropanoyl)piperidine-4-carboxylate
CID 91740781
methyl 1-heptanoylpiperidine-4-carboxylate
CID 43423316
decyl 1-(3-cyclopentylpropanoyl)piperidine-4-carboxylate
CID 91740005
butyl 1-acetylpiperidine-4-carboxylate
CID 112724765
hexyl 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 78877614
hexyl 1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylate
CID 78877062
1-O-methyl 4-O-tetradecyl piperidine-1,4-dicarboxylate
CID 91742588
dodecyl 1-methylpiperidine-4-carboxylate
CID 138584013
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
nonyl 1-prop-2-enoylpiperidine-4-carboxylate
CID 91738806
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133

Frequently Asked Questions

What is the IUPAC name of butyl 1-octanoylpiperidine-4-carboxylate?
The IUPAC name of butyl 1-octanoylpiperidine-4-carboxylate (CID 91728400) is butyl 1-octanoylpiperidine-4-carboxylate.
What is the SMILES notation for butyl 1-octanoylpiperidine-4-carboxylate?
The canonical SMILES for butyl 1-octanoylpiperidine-4-carboxylate is CCCCCCCC(=O)N1CCC(C(=O)OCCCC)CC1.
What is the InChIKey of butyl 1-octanoylpiperidine-4-carboxylate?
The InChIKey is ZJAZLRTWQAOHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3/c1-3-5-7-8-9-10-17(20)19-13-11-16(12-14-19)18(21)22-15-6-4-2/h16H,3-15H2,1-2H3.
What are the key properties of butyl 1-octanoylpiperidine-4-carboxylate?
butyl 1-octanoylpiperidine-4-carboxylate has a molecular weight of 311.47 g/mol, XLogP of 3.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-octanoylpiperidine-4-carboxylate is sourced from PubChem (CID 91728400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).