2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

C15H25N3O2S — CID 146617114

IUPAC2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCCC(O)CN1CCC(CC(=O)NCc2nccs2)CC1
InChIInChI=1S/C15H25N3O2S/c1-2-13(19)11-18-6-3-12(4-7-18)9-14(20)17-10-15-16-5-8-21-15/h5,8,12-13,19H,2-4,6-7,9-11H2,1H3,(H,17,20)
InChIKeyDDJSRJOYWDQLMY-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.63
Rot. Bonds7

About 2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide

2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 146617114) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID146617114
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCCC(O)CN1CCC(CC(=O)NCc2nccs2)CC1
InChIInChI=1S/C15H25N3O2S/c1-2-13(19)11-18-6-3-12(4-7-18)9-14(20)17-10-15-16-5-8-21-15/h5,8,12-13,19H,2-4,6-7,9-11H2,1H3,(H,17,20)
InChIKeyDDJSRJOYWDQLMY-UHFFFAOYSA-N
XLogP1.63
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 146617114) is 2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is CCC(O)CN1CCC(CC(=O)NCc2nccs2)CC1.
What is the InChIKey of 2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is DDJSRJOYWDQLMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-13(19)11-18-6-3-12(4-7-18)9-14(20)17-10-15-16-5-8-21-15/h5,8,12-13,19H,2-4,6-7,9-11H2,1H3,(H,17,20).
What are the key properties of 2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 311.45 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxybutyl)piperidin-4-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 146617114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).