methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate

C19H21NO4 — CID 18150309

IUPACmethyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21NO4/c1-23-19(22)16-9-12-24-17(16)13-20-10-7-15(8-11-20)18(21)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3
InChIKeyMIXRUTVIIBPRLT-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.16
Rot. Bonds5

About methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate

methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate (PubChem CID 18150309) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate
PubChem CID18150309
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namemethyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCC(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H21NO4/c1-23-19(22)16-9-12-24-17(16)13-20-10-7-15(8-11-20)18(21)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3
InChIKeyMIXRUTVIIBPRLT-UHFFFAOYSA-N
XLogP3.16
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate
CID 43162349
methyl 2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55030851
methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 79038546
ethyl 1-[(3-ethoxycarbonylfuran-2-yl)methyl]piperidine-4-carboxylate
CID 51072756
methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 51075350
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330
methyl 2-[(5-phenyltetrazol-2-yl)methyl]furan-3-carboxylate
CID 134024131
methyl 2-[[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 18151747
methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate
CID 24626996
2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]furan-3-carboxylic acid
CID 106836382
ethyl 2-[[3-(methylaminomethyl)pyrrolidin-1-yl]methyl]furan-3-carboxylate
CID 55167904

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate (CID 18150309) is methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate is COC(=O)c1ccoc1CN1CCC(C(=O)c2ccccc2)CC1.
What is the InChIKey of methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate?
The InChIKey is MIXRUTVIIBPRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-23-19(22)16-9-12-24-17(16)13-20-10-7-15(8-11-20)18(21)14-5-3-2-4-6-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3.
What are the key properties of methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate?
methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-benzoylpiperidin-1-yl)methyl]furan-3-carboxylate is sourced from PubChem (CID 18150309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).