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

C13H19NO3 — CID 51075350

IUPACmethyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCCCC1C
InChIInChI=1S/C13H19NO3/c1-10-5-3-4-7-14(10)9-12-11(6-8-17-12)13(15)16-2/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyAOENKAQZAYYPAE-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.44
Rot. Bonds3

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

methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate (PubChem CID 51075350) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate
PubChem CID51075350
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCCCC1C
InChIInChI=1S/C13H19NO3/c1-10-5-3-4-7-14(10)9-12-11(6-8-17-12)13(15)16-2/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyAOENKAQZAYYPAE-UHFFFAOYSA-N
XLogP2.44
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 79038546
ethyl 2-[[2-(hydroxymethyl)azepan-1-yl]methyl]furan-3-carboxylate
CID 116637436
methyl 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55030851
methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 18150309
methyl 2-[(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]furan-3-carboxylate
CID 66208266
2-[(2,4-dimethylpiperidin-1-yl)methyl]furan-3-carboxylic acid
CID 62332325
methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate
CID 43162349
N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438856
ethyl 2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 62737323
methyl 4-[(2-methylpyrrolidin-1-yl)methyl]benzoate
CID 54882617
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)furan-3-carboxylic acid
CID 43628353
methyl 3-[[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61361829

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate (CID 51075350) is methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN1CCCCC1C.
What is the InChIKey of methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate?
The InChIKey is AOENKAQZAYYPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10-5-3-4-7-14(10)9-12-11(6-8-17-12)13(15)16-2/h6,8,10H,3-5,7,9H2,1-2H3.
What are the key properties of methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate?
methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate is sourced from PubChem (CID 51075350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).