2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide

C14H28N2O2 — CID 103898571

IUPAC2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1CCC(C)C(O)C1
InChIInChI=1S/C14H28N2O2/c1-4-7-16(8-5-2)14(18)11-15-9-6-12(3)13(17)10-15/h12-13,17H,4-11H2,1-3H3
InChIKeyDGDVCOFQIKOKJJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.34
Rot. Bonds6

About 2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide

2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide (PubChem CID 103898571) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide
PubChem CID103898571
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1CCC(C)C(O)C1
InChIInChI=1S/C14H28N2O2/c1-4-7-16(8-5-2)14(18)11-15-9-6-12(3)13(17)10-15/h12-13,17H,4-11H2,1-3H3
InChIKeyDGDVCOFQIKOKJJ-UHFFFAOYSA-N
XLogP1.34
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide (CID 103898571) is 2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN1CCC(C)C(O)C1.
What is the InChIKey of 2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide?
The InChIKey is DGDVCOFQIKOKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-7-16(8-5-2)14(18)11-15-9-6-12(3)13(17)10-15/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide?
2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide has a molecular weight of 256.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpiperidin-1-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 103898571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).