methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate

C11H16N2O3 — CID 43162349

IUPACmethyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCNCC1
InChIInChI=1S/C11H16N2O3/c1-15-11(14)9-2-7-16-10(9)8-13-5-3-12-4-6-13/h2,7,12H,3-6,8H2,1H3
InChIKeyYAMPHBFVPHSSKQ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.47
Rot. Bonds3

About methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate

methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate (PubChem CID 43162349) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate
PubChem CID43162349
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Namemethyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate
SMILESCOC(=O)c1ccoc1CN1CCNCC1
InChIInChI=1S/C11H16N2O3/c1-15-11(14)9-2-7-16-10(9)8-13-5-3-12-4-6-13/h2,7,12H,3-6,8H2,1H3
InChIKeyYAMPHBFVPHSSKQ-UHFFFAOYSA-N
XLogP0.47
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(azepan-1-ylmethyl)furan-3-carboxylate
CID 51075342
2-(1,4-diazepan-1-ylmethyl)furan-3-carboxylic acid
CID 61397796
2-(1,4-diazepan-1-ylmethyl)furan-3-carbohydrazide
CID 63577489
methyl 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]furan-3-carboxylate
CID 24626996
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-(piperazin-1-ylmethyl)benzoate
CID 44829012
methyl (3S)-1-[(3-methoxycarbonylfuran-2-yl)methyl]piperidine-3-carboxylate
CID 79038546
methyl 2-[[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methyl]furan-3-carboxylate
CID 31688122
methyl 2-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]furan-3-carboxylate
CID 18151729
methyl 2-[(2-methylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 51075350
(3-methoxycarbonylfuran-2-yl)methylazanium
CID 7022982

Frequently Asked Questions

What is the IUPAC name of methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate?
The IUPAC name of methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate (CID 43162349) is methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate.
What is the SMILES notation for methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate?
The canonical SMILES for methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate is COC(=O)c1ccoc1CN1CCNCC1.
What is the InChIKey of methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate?
The InChIKey is YAMPHBFVPHSSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-15-11(14)9-2-7-16-10(9)8-13-5-3-12-4-6-13/h2,7,12H,3-6,8H2,1H3.
What are the key properties of methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate?
methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(piperazin-1-ylmethyl)furan-3-carboxylate is sourced from PubChem (CID 43162349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).