methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate

C14H21N3O4 — CID 71942284

IUPACmethyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN2CCN(CC(N)=O)CC2)cc1C
InChIInChI=1S/C14H21N3O4/c1-10-7-11(21-13(10)14(19)20-2)8-16-3-5-17(6-4-16)9-12(15)18/h7H,3-6,8-9H2,1-2H3,(H2,15,18)
InChIKeyGOPBDMJFYLFYAB-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.02
Rot. Bonds5

About methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate

methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate (PubChem CID 71942284) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate
PubChem CID71942284
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Namemethyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate
SMILESCOC(=O)c1oc(CN2CCN(CC(N)=O)CC2)cc1C
InChIInChI=1S/C14H21N3O4/c1-10-7-11(21-13(10)14(19)20-2)8-16-3-5-17(6-4-16)9-12(15)18/h7H,3-6,8-9H2,1-2H3,(H2,15,18)
InChIKeyGOPBDMJFYLFYAB-UHFFFAOYSA-N
XLogP-0.02
TPSA89.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-methyl-5-(piperazin-1-ylmethyl)furan-2-carboxylate
CID 43162328
methyl 5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62063570
methyl 5-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-3-methylfuran-2-carboxylate
CID 115314384
methyl 5-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62355956
methyl 5-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3-methylfuran-2-carboxylate
CID 47293816
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carbohydrazide
CID 63571130
methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate
CID 86895729
methyl 5-[[(3S)-3-(methanesulfonamido)piperidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 94032684
methyl 5-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3-methylfuran-2-carboxylate
CID 62014550
methyl 3-methyl-5-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 33185126
methyl 5-[(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-methylfuran-2-carboxylate
CID 42957758
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]-3-methylfuran-2-carboxylic acid
CID 107223516

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate?
The IUPAC name of methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate (CID 71942284) is methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate is COC(=O)c1oc(CN2CCN(CC(N)=O)CC2)cc1C.
What is the InChIKey of methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate?
The InChIKey is GOPBDMJFYLFYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10-7-11(21-13(10)14(19)20-2)8-16-3-5-17(6-4-16)9-12(15)18/h7H,3-6,8-9H2,1-2H3,(H2,15,18).
What are the key properties of methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate?
methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate has a molecular weight of 295.34 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(2-amino-2-oxoethyl)piperazin-1-yl]methyl]-3-methylfuran-2-carboxylate is sourced from PubChem (CID 71942284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).