methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate

C14H19NO4 — CID 169210760

IUPACmethyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2ccco2)C1
InChIInChI=1S/C14H19NO4/c1-10-5-6-11(14(17)18-2)9-15(10)13(16)8-12-4-3-7-19-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyXJDHGEWBGXGQKF-WDEREUQCSA-N
MW265.31 g/mol
LogP1.62
Rot. Bonds3

About methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate

methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate (PubChem CID 169210760) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate
PubChem CID169210760
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2ccco2)C1
InChIInChI=1S/C14H19NO4/c1-10-5-6-11(14(17)18-2)9-15(10)13(16)8-12-4-3-7-19-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyXJDHGEWBGXGQKF-WDEREUQCSA-N
XLogP1.62
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R,6S)-6-methyl-1-(2-pyridin-3-ylacetyl)piperidine-3-carboxylate
CID 169210710
methyl (3R,6S)-6-methyl-1-propanoylpiperidine-3-carboxylate
CID 169210735
methyl (3R,6S)-1-[2-(3,4-dichlorophenyl)acetyl]-6-methylpiperidine-3-carboxylate
CID 169210737
1-cyclopropyl-2-(furan-2-yl)ethanone
CID 83172331
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
CID 112730735
1-(4-tert-butylcyclohexyl)-2-(furan-2-yl)ethanone
CID 83171692
1-O-tert-butyl 3-O-methyl (3S,6R)-6-methylpiperidine-1,3-dicarboxylate
CID 59277660
1-(3-aminopyrrolidin-1-yl)-2-(furan-2-yl)ethanone
CID 83619262
methyl 1-(furan-2-ylmethyl)-4-hydroxypyrrolidine-2-carboxylate
CID 112632882

Frequently Asked Questions

What is the IUPAC name of methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate?
The IUPAC name of methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate (CID 169210760) is methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate is COC(=O)[C@@H]1CC[C@H](C)N(C(=O)Cc2ccco2)C1.
What is the InChIKey of methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate?
The InChIKey is XJDHGEWBGXGQKF-WDEREUQCSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-5-6-11(14(17)18-2)9-15(10)13(16)8-12-4-3-7-19-12/h3-4,7,10-11H,5-6,8-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate?
methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,6S)-1-[2-(furan-2-yl)acetyl]-6-methylpiperidine-3-carboxylate is sourced from PubChem (CID 169210760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).