ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate

C15H21N3O5 — CID 8560001

IUPACethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccco2)C1
InChIInChI=1S/C15H21N3O5/c1-2-22-15(21)11-5-3-7-18(9-11)10-13(19)16-17-14(20)12-6-4-8-23-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,19)(H,17,20)/t11-/m1/s1
InChIKeyBLYWYINYUPFOAF-LLVKDONJSA-N
MW323.35 g/mol
LogP0.32
Rot. Bonds5

About ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 8560001) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID8560001
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Nameethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccco2)C1
InChIInChI=1S/C15H21N3O5/c1-2-22-15(21)11-5-3-7-18(9-11)10-13(19)16-17-14(20)12-6-4-8-23-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,19)(H,17,20)/t11-/m1/s1
InChIKeyBLYWYINYUPFOAF-LLVKDONJSA-N
XLogP0.32
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S)-1-[2-(2-benzoylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 8531872
methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 115537539
ethyl (3R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 26496028
ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532808
ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8531993
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
ethyl 1-[5-amino-6-[2-(furan-2-carbonyl)hydrazinyl]pyrimidin-4-yl]piperidine-3-carboxylate
CID 19142289
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 51170832
ethyl (3R)-1-[2-(2-bromoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533058
ethyl (3R)-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8533086
ethyl (3R)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533163
ethyl (3S)-1-(2-phenylethyl)piperidine-3-carboxylate
CID 783175

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate (CID 8560001) is ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CC(=O)NNC(=O)c2ccco2)C1.
What is the InChIKey of ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is BLYWYINYUPFOAF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-2-22-15(21)11-5-3-7-18(9-11)10-13(19)16-17-14(20)12-6-4-8-23-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,16,19)(H,17,20)/t11-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 8560001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).