methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate

C14H18N2O5 — CID 115537539

IUPACmethyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(CC(=O)NC(=O)c2ccco2)C1
InChIInChI=1S/C14H18N2O5/c1-20-14(19)10-4-2-6-16(8-10)9-12(17)15-13(18)11-5-3-7-21-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,17,18)/t10-/m0/s1
InChIKeyXEKUTVVYBAKOBF-JTQLQIEISA-N
MW294.31 g/mol
LogP0.42
Rot. Bonds4

About methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate

methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 115537539) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
PubChem CID115537539
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Namemethyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate
SMILESCOC(=O)[C@H]1CCCN(CC(=O)NC(=O)c2ccco2)C1
InChIInChI=1S/C14H18N2O5/c1-20-14(19)10-4-2-6-16(8-10)9-12(17)15-13(18)11-5-3-7-21-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,17,18)/t10-/m0/s1
InChIKeyXEKUTVVYBAKOBF-JTQLQIEISA-N
XLogP0.42
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3R)-1-[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl]piperidine-3-carboxylate
CID 8560001
methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79046631
methyl (3S)-1-[2-(furan-2-carbonylamino)acetyl]piperidine-3-carboxylate
CID 78919778
N-[2-(4-aminopiperidin-1-yl)acetyl]furan-2-carboxamide
CID 43556804
N-[2-(3,5-dimethylpiperazin-1-yl)acetyl]furan-2-carboxamide
CID 63872942
ethyl (3R)-1-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 8531993
1-(furan-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960760
ethyl (3R)-1-[2-(furan-2-ylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 26496028
methyl (3S)-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-3-carboxylate
CID 115537541
N-(2-piperazin-1-ylacetyl)furan-2-carboxamide
CID 43162394
methyl 1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 78920387
methyl (3S)-1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidine-3-carboxylate
CID 79047605

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate (CID 115537539) is methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate is COC(=O)[C@H]1CCCN(CC(=O)NC(=O)c2ccco2)C1.
What is the InChIKey of methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is XEKUTVVYBAKOBF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-14(19)10-4-2-6-16(8-10)9-12(17)15-13(18)11-5-3-7-21-11/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,17,18)/t10-/m0/s1.
What are the key properties of methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate?
methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[2-(furan-2-carbonylamino)-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 115537539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).