[5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

C17H28N2O4 — CID 56910464

IUPAC[5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCN(CC)Cc1cc(C(=O)N2CCCC(O)(CO)C2)c(C)o1
InChIInChI=1S/C17H28N2O4/c1-4-18(5-2)10-14-9-15(13(3)23-14)16(21)19-8-6-7-17(22,11-19)12-20/h9,20,22H,4-8,10-12H2,1-3H3
InChIKeyIZEIVZPGCCQCPG-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.39
Rot. Bonds6

About [5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone

[5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 56910464) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is [5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID56910464
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name[5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCCN(CC)Cc1cc(C(=O)N2CCCC(O)(CO)C2)c(C)o1
InChIInChI=1S/C17H28N2O4/c1-4-18(5-2)10-14-9-15(13(3)23-14)16(21)19-8-6-7-17(22,11-19)12-20/h9,20,22H,4-8,10-12H2,1-3H3
InChIKeyIZEIVZPGCCQCPG-UHFFFAOYSA-N
XLogP1.39
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone (CID 56910464) is [5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is CCN(CC)Cc1cc(C(=O)N2CCCC(O)(CO)C2)c(C)o1.
What is the InChIKey of [5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is IZEIVZPGCCQCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-4-18(5-2)10-14-9-15(13(3)23-14)16(21)19-8-6-7-17(22,11-19)12-20/h9,20,22H,4-8,10-12H2,1-3H3.
What are the key properties of [5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone?
[5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 324.42 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(diethylaminomethyl)-2-methylfuran-3-yl]-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56910464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).