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

C16H32N2O2 — CID 97113223

IUPAC2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC[C@]1(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)/t16-/m0/s1
InChIKeyRSWQWIMGGPKSKU-INIZCTEOSA-N
MW284.44 g/mol
LogP2.17
Rot. Bonds7

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

2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 97113223) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
PubChem CID97113223
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC[C@]1(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)/t16-/m0/s1
InChIKeyRSWQWIMGGPKSKU-INIZCTEOSA-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-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide (CID 97113223) is 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide is CCC[C@]1(CO)CCCN(CC(=O)NC(C)(C)CC)C1.
What is the InChIKey of 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is RSWQWIMGGPKSKU-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide?
2-[(3S)-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-[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 97113223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).