methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate

C16H24N2O5 — CID 120623331

IUPACmethyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOCC1(C(=O)NCc2cc(C(=O)OC)c(C)o2)CCNCC1
InChIInChI=1S/C16H24N2O5/c1-11-13(14(19)22-3)8-12(23-11)9-18-15(20)16(10-21-2)4-6-17-7-5-16/h8,17H,4-7,9-10H2,1-3H3,(H,18,20)
InChIKeyCOCUOQMZTLUZQS-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.01
Rot. Bonds6

About methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 120623331) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate
PubChem CID120623331
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Namemethyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate
SMILESCOCC1(C(=O)NCc2cc(C(=O)OC)c(C)o2)CCNCC1
InChIInChI=1S/C16H24N2O5/c1-11-13(14(19)22-3)8-12(23-11)9-18-15(20)16(10-21-2)4-6-17-7-5-16/h8,17H,4-7,9-10H2,1-3H3,(H,18,20)
InChIKeyCOCUOQMZTLUZQS-UHFFFAOYSA-N
XLogP1.01
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate (CID 120623331) is methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate is COCC1(C(=O)NCc2cc(C(=O)OC)c(C)o2)CCNCC1.
What is the InChIKey of methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is COCUOQMZTLUZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-11-13(14(19)22-3)8-12(23-11)9-18-15(20)16(10-21-2)4-6-17-7-5-16/h8,17H,4-7,9-10H2,1-3H3,(H,18,20).
What are the key properties of methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 120623331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).