N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide

C13H24N2O4 — CID 106298930

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide
SMILESO=C(COC1CCNCC1)NC1(CO)CCOCC1
InChIInChI=1S/C13H24N2O4/c16-10-13(3-7-18-8-4-13)15-12(17)9-19-11-1-5-14-6-2-11/h11,14,16H,1-10H2,(H,15,17)
InChIKeyZWJBEZQQACOZOI-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.59
Rot. Bonds5

About N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide

N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide (PubChem CID 106298930) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide
PubChem CID106298930
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide
SMILESO=C(COC1CCNCC1)NC1(CO)CCOCC1
InChIInChI=1S/C13H24N2O4/c16-10-13(3-7-18-8-4-13)15-12(17)9-19-11-1-5-14-6-2-11/h11,14,16H,1-10H2,(H,15,17)
InChIKeyZWJBEZQQACOZOI-UHFFFAOYSA-N
XLogP-0.59
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide (CID 106298930) is N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide is O=C(COC1CCNCC1)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide?
The InChIKey is ZWJBEZQQACOZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c16-10-13(3-7-18-8-4-13)15-12(17)9-19-11-1-5-14-6-2-11/h11,14,16H,1-10H2,(H,15,17).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide has a molecular weight of 272.34 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2-piperidin-4-yloxyacetamide is sourced from PubChem (CID 106298930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).