N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide

C13H20N2O3 — CID 60642561

IUPACN-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCCC(O)C1
InChIInChI=1S/C13H20N2O3/c1-14(9-12-5-3-7-18-12)13(17)10-15-6-2-4-11(16)8-15/h3,5,7,11,16H,2,4,6,8-10H2,1H3
InChIKeyZHLLQPGGWKOVDT-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.69
Rot. Bonds4

About N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide

N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide (PubChem CID 60642561) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
PubChem CID60642561
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
SMILESCN(Cc1ccco1)C(=O)CN1CCCC(O)C1
InChIInChI=1S/C13H20N2O3/c1-14(9-12-5-3-7-18-12)13(17)10-15-6-2-4-11(16)8-15/h3,5,7,11,16H,2,4,6,8-10H2,1H3
InChIKeyZHLLQPGGWKOVDT-UHFFFAOYSA-N
XLogP0.69
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide (CID 60642561) is N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide is CN(Cc1ccco1)C(=O)CN1CCCC(O)C1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide?
The InChIKey is ZHLLQPGGWKOVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-14(9-12-5-3-7-18-12)13(17)10-15-6-2-4-11(16)8-15/h3,5,7,11,16H,2,4,6,8-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide?
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide has a molecular weight of 252.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 60642561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).