2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide

C16H32N2O2 — CID 70714271

IUPAC2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCCC1(CO)CCCN(CC(=O)NC(C)(C)CC)C1
InChIInChI=1S/C16H32N2O2/c1-5-8-16(13-19)9-7-10-18(12-16)11-14(20)17-15(3,4)6-2/h19H,5-13H2,1-4H3,(H,17,20)
InChIKeyRSWQWIMGGPKSKU-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.17
Rot. Bonds7

About 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide

2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 70714271) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID70714271
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCCC1(CO)CCCN(CC(=O)NC(C)(C)CC)C1
InChIInChI=1S/C16H32N2O2/c1-5-8-16(13-19)9-7-10-18(12-16)11-14(20)17-15(3,4)6-2/h19H,5-13H2,1-4H3,(H,17,20)
InChIKeyRSWQWIMGGPKSKU-UHFFFAOYSA-N
XLogP2.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 70714271) is 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCCC1(CO)CCCN(CC(=O)NC(C)(C)CC)C1.
What is the InChIKey of 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is RSWQWIMGGPKSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-8-16(13-19)9-7-10-18(12-16)11-14(20)17-15(3,4)6-2/h19H,5-13H2,1-4H3,(H,17,20).
What are the key properties of 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 284.44 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 70714271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).