2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide

C14H24N4O2 — CID 90648858

IUPAC2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESCN(CCCn1cccn1)C(=O)CN1CCCC(O)C1
InChIInChI=1S/C14H24N4O2/c1-16(7-4-10-18-9-3-6-15-18)14(20)12-17-8-2-5-13(19)11-17/h3,6,9,13,19H,2,4-5,7-8,10-12H2,1H3
InChIKeyAOXQYSPXPDKUIT-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.19
Rot. Bonds6

About 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide

2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide (PubChem CID 90648858) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide
PubChem CID90648858
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESCN(CCCn1cccn1)C(=O)CN1CCCC(O)C1
InChIInChI=1S/C14H24N4O2/c1-16(7-4-10-18-9-3-6-15-18)14(20)12-17-8-2-5-13(19)11-17/h3,6,9,13,19H,2,4-5,7-8,10-12H2,1H3
InChIKeyAOXQYSPXPDKUIT-UHFFFAOYSA-N
XLogP0.19
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide (CID 90648858) is 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide is CN(CCCn1cccn1)C(=O)CN1CCCC(O)C1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is AOXQYSPXPDKUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-16(7-4-10-18-9-3-6-15-18)14(20)12-17-8-2-5-13(19)11-17/h3,6,9,13,19H,2,4-5,7-8,10-12H2,1H3.
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide?
2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-N-methyl-N-(3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 90648858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).