methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate

C14H21NO3 — CID 78791073

IUPACmethyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN2CCCC(C)C2)oc1C
InChIInChI=1S/C14H21NO3/c1-10-5-4-6-15(8-10)9-12-7-13(11(2)18-12)14(16)17-3/h7,10H,4-6,8-9H2,1-3H3
InChIKeyBIYOEIULJMPUER-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.61
Rot. Bonds3

About methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate

methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate (PubChem CID 78791073) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate
PubChem CID78791073
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN2CCCC(C)C2)oc1C
InChIInChI=1S/C14H21NO3/c1-10-5-4-6-15(8-10)9-12-7-13(11(2)18-12)14(16)17-3/h7,10H,4-6,8-9H2,1-3H3
InChIKeyBIYOEIULJMPUER-UHFFFAOYSA-N
XLogP2.61
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[[3-(methanesulfonamido)piperidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78896687
methyl 2-methyl-5-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 97101306
methyl 5-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-2-methylfuran-3-carboxylate
CID 119119295
methyl 2-methyl-5-[[[N-methyl-C-(3-methylpiperidin-1-yl)carbonimidoyl]amino]methyl]furan-3-carboxylate;hydroiodide
CID 111144489
2-methyl-5-[(4-methylazepan-1-yl)methyl]furan-3-carbohydrazide
CID 63625273
methyl 2-methyl-5-[[3-[(6-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]methyl]furan-3-carboxylate
CID 78903955
ethyl 1-[(4-methoxycarbonyl-5-methylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 78789920
methyl 5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-2-methylfuran-3-carboxylate
CID 120781800
methyl 2-methyl-5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]furan-3-carboxylate
CID 78845691
N-[[2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62437586
methyl 5-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 9389658
methyl 5-[[4-(2,5-dimethylfuran-3-carbonyl)piperazin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78898993

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate (CID 78791073) is methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate is COC(=O)c1cc(CN2CCCC(C)C2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate?
The InChIKey is BIYOEIULJMPUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10-5-4-6-15(8-10)9-12-7-13(11(2)18-12)14(16)17-3/h7,10H,4-6,8-9H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate?
methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate is sourced from PubChem (CID 78791073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).