methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate

C14H19NO5 — CID 79038546

IUPACmethyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C14H19NO5/c1-18-13(16)10-4-3-6-15(8-10)9-12-11(5-7-20-12)14(17)19-2/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyVSNXUHXMEFVILR-JTQLQIEISA-N
MW281.31 g/mol
LogP1.45
Rot. Bonds4

About methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate

methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate (PubChem CID 79038546) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
PubChem CID79038546
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Namemethyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCC[C@H](C(=O)OC)C1
InChIInChI=1S/C14H19NO5/c1-18-13(16)10-4-3-6-15(8-10)9-12-11(5-7-20-12)14(17)19-2/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-/m0/s1
InChIKeyVSNXUHXMEFVILR-JTQLQIEISA-N
XLogP1.45
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
methyl 2-[[3-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 55816186
methyl 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55030851
methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 51075350
ethyl 2-[(3-hydroxypiperidin-1-yl)methyl]furan-3-carboxylate
CID 51072760
ethyl (3R)-1-[(2-methoxycarbonylfuran-3-yl)methyl]piperidine-3-carboxylate
CID 81339448
methyl (3S)-1-(1,2-oxazol-5-ylmethyl)piperidine-3-carboxylate
CID 79046872
methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 18150309
2-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477695
methyl 1-[[4-(aminomethyl)phenyl]methyl]piperidine-3-carboxylate
CID 115533762
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
2-[(3-aminopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63583479

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate (CID 79038546) is methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate is COC(=O)c1ccoc1CN1CCC[C@H](C(=O)OC)C1.
What is the InChIKey of methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate?
The InChIKey is VSNXUHXMEFVILR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO5/c1-18-13(16)10-4-3-6-15(8-10)9-12-11(5-7-20-12)14(17)19-2/h5,7,10H,3-4,6,8-9H2,1-2H3/t10-/m0/s1.
What are the key properties of methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate?
methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 79038546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).