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

C16H23N3O5 — CID 8531993

IUPACethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)NC(=O)NCc2ccco2)C1
InChIInChI=1S/C16H23N3O5/c1-2-23-15(21)12-5-3-7-19(10-12)11-14(20)18-16(22)17-9-13-6-4-8-24-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3,(H2,17,18,20,22)/t12-/m1/s1
InChIKeyLJBKHNRFCGOTLD-GFCCVEGCSA-N
MW337.38 g/mol
LogP0.88
Rot. Bonds6

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

ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 8531993) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate
PubChem CID8531993
Molecular FormulaC16H23N3O5
Molecular Weight337.38 g/mol
Exact Mass337.16
IUPAC Nameethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)NC(=O)NCc2ccco2)C1
InChIInChI=1S/C16H23N3O5/c1-2-23-15(21)12-5-3-7-19(10-12)11-14(20)18-16(22)17-9-13-6-4-8-24-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3,(H2,17,18,20,22)/t12-/m1/s1
InChIKeyLJBKHNRFCGOTLD-GFCCVEGCSA-N
XLogP0.88
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 26496028
2-(3-aminopiperidin-1-yl)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 61295561
ethyl 1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8772796
ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate
CID 8560001
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717562
ethyl (3S)-1-[2-(benzylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532808
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8904767
methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 115537539
N-(furan-2-ylmethyl)-2-[(3R)-3-hydroxypiperidin-1-yl]acetamide
CID 29231189
ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8561943
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
ethyl 1-[2-[2-(furan-2-ylmethylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 8773092

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate (CID 8531993) is ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CC(=O)NC(=O)NCc2ccco2)C1.
What is the InChIKey of ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is LJBKHNRFCGOTLD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-2-23-15(21)12-5-3-7-19(10-12)11-14(20)18-16(22)17-9-13-6-4-8-24-13/h4,6,8,12H,2-3,5,7,9-11H2,1H3,(H2,17,18,20,22)/t12-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 8531993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).