N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide

C16H24N2O2S — CID 78887945

IUPACN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESCC(C)(C)C(NC(=O)CN1CCCCC1=O)c1cccs1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)15(12-7-6-10-21-12)17-13(19)11-18-9-5-4-8-14(18)20/h6-7,10,15H,4-5,8-9,11H2,1-3H3,(H,17,19)
InChIKeyPMKDJZWJMABXPJ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.96
Rot. Bonds4

About N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide

N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide (PubChem CID 78887945) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
PubChem CID78887945
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide
SMILESCC(C)(C)C(NC(=O)CN1CCCCC1=O)c1cccs1
InChIInChI=1S/C16H24N2O2S/c1-16(2,3)15(12-7-6-10-21-12)17-13(19)11-18-9-5-4-8-14(18)20/h6-7,10,15H,4-5,8-9,11H2,1-3H3,(H,17,19)
InChIKeyPMKDJZWJMABXPJ-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122132392
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 110921437
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
2-(4-benzoylpiperidin-1-yl)-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)acetamide
CID 60507562
1-[2-(2-oxoazepan-1-yl)ethyl]-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 94161198
N-[1-(4-methyl-1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110221787
2-amino-N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 115286494
2-(2-oxopyrrolidin-1-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
CID 92571237
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-[(1-oxo-2,3-dihydroinden-4-yl)oxy]acetamide
CID 78902741
2-hydroxy-2-methyl-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]propanoic acid
CID 66173577
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide?
The IUPAC name of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide (CID 78887945) is N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide?
The canonical SMILES for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide is CC(C)(C)C(NC(=O)CN1CCCCC1=O)c1cccs1.
What is the InChIKey of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide?
The InChIKey is PMKDJZWJMABXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-16(2,3)15(12-7-6-10-21-12)17-13(19)11-18-9-5-4-8-14(18)20/h6-7,10,15H,4-5,8-9,11H2,1-3H3,(H,17,19).
What are the key properties of N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide?
N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide has a molecular weight of 308.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-thiophen-2-ylpropyl)-2-(2-oxopiperidin-1-yl)acetamide is sourced from PubChem (CID 78887945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).