2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide

C16H26N2O2S — CID 111487922

IUPAC2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CN2CCCCC2C(C)O)c(C)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-11(2)16(21-13(10)4)17-15(20)9-18-8-6-5-7-14(18)12(3)19/h12,14,19H,5-9H2,1-4H3,(H,17,20)
InChIKeyARXKEKJOWIXKLP-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.85
Rot. Bonds4

About 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide

2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide (PubChem CID 111487922) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
PubChem CID111487922
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide
SMILESCc1sc(NC(=O)CN2CCCCC2C(C)O)c(C)c1C
InChIInChI=1S/C16H26N2O2S/c1-10-11(2)16(21-13(10)4)17-15(20)9-18-8-6-5-7-14(18)12(3)19/h12,14,19H,5-9H2,1-4H3,(H,17,20)
InChIKeyARXKEKJOWIXKLP-UHFFFAOYSA-N
XLogP2.85
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The IUPAC name of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide (CID 111487922) is 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The canonical SMILES for 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide is Cc1sc(NC(=O)CN2CCCCC2C(C)O)c(C)c1C.
What is the InChIKey of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
The InChIKey is ARXKEKJOWIXKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-10-11(2)16(21-13(10)4)17-15(20)9-18-8-6-5-7-14(18)12(3)19/h12,14,19H,5-9H2,1-4H3,(H,17,20).
What are the key properties of 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide?
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide has a molecular weight of 310.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(3,4,5-trimethylthiophen-2-yl)acetamide is sourced from PubChem (CID 111487922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).