ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate

C13H21NO3 — CID 81344595

IUPACethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
SMILESC=CCCC(=O)N1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C13H21NO3/c1-3-5-8-12(15)14-9-6-7-11(10-14)13(16)17-4-2/h3,11H,1,4-10H2,2H3/t11-/m1/s1
InChIKeyKAIXNHCIABIPPQ-LLVKDONJSA-N
MW239.31 g/mol
LogP1.75
Rot. Bonds5

About ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate

ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate (PubChem CID 81344595) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
PubChem CID81344595
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Nameethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate
SMILESC=CCCC(=O)N1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C13H21NO3/c1-3-5-8-12(15)14-9-6-7-11(10-14)13(16)17-4-2/h3,11H,1,4-10H2,2H3/t11-/m1/s1
InChIKeyKAIXNHCIABIPPQ-LLVKDONJSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3R)-1-but-3-enoylpiperidine-3-carboxylate
CID 115538775
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
ethyl 1-(3-propoxypropanoyl)piperidine-3-carboxylate
CID 62716842
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
4-[3-(3-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]piperidine-1-carboxylic acid
CID 166771606
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
ethyl 1-(2-methylsulfonylacetyl)piperidine-3-carboxylate
CID 61340322
ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
CID 43130738
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate (CID 81344595) is ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate is C=CCCC(=O)N1CCC[C@@H](C(=O)OCC)C1.
What is the InChIKey of ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate?
The InChIKey is KAIXNHCIABIPPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-5-8-12(15)14-9-6-7-11(10-14)13(16)17-4-2/h3,11H,1,4-10H2,2H3/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate?
ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-pent-4-enoylpiperidine-3-carboxylate is sourced from PubChem (CID 81344595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).