ethyl 1-hexanoylpiperidine-3-carboxylate

C14H25NO3 — CID 43409441

IUPACethyl 1-hexanoylpiperidine-3-carboxylate
SMILESCCCCCC(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C14H25NO3/c1-3-5-6-9-13(16)15-10-7-8-12(11-15)14(17)18-4-2/h12H,3-11H2,1-2H3
InChIKeyDUEVZLUXBJOVHP-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.37
Rot. Bonds6

About ethyl 1-hexanoylpiperidine-3-carboxylate

ethyl 1-hexanoylpiperidine-3-carboxylate (PubChem CID 43409441) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethyl 1-hexanoylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-hexanoylpiperidine-3-carboxylate
PubChem CID43409441
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nameethyl 1-hexanoylpiperidine-3-carboxylate
SMILESCCCCCC(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C14H25NO3/c1-3-5-6-9-13(16)15-10-7-8-12(11-15)14(17)18-4-2/h12H,3-11H2,1-2H3
InChIKeyDUEVZLUXBJOVHP-UHFFFAOYSA-N
XLogP2.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.37
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

ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
1-decanoylpiperidine-3-carboperoxoic acid
CID 19094881
methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
CID 81344595
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid
CID 166771606
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
CID 61340322

Frequently Asked Questions

What is the IUPAC name of ethyl 1-hexanoylpiperidine-3-carboxylate?
The IUPAC name of ethyl 1-hexanoylpiperidine-3-carboxylate (CID 43409441) is ethyl 1-hexanoylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-hexanoylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 1-hexanoylpiperidine-3-carboxylate is CCCCCC(=O)N1CCCC(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-hexanoylpiperidine-3-carboxylate?
The InChIKey is DUEVZLUXBJOVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-3-5-6-9-13(16)15-10-7-8-12(11-15)14(17)18-4-2/h12H,3-11H2,1-2H3.
What are the key properties of ethyl 1-hexanoylpiperidine-3-carboxylate?
ethyl 1-hexanoylpiperidine-3-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-hexanoylpiperidine-3-carboxylate is sourced from PubChem (CID 43409441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).