2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

C17H25N3O3S — CID 26516446

IUPAC2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCc1cccs1
InChIInChI=1S/C17H25N3O3S/c21-16(18-6-5-14-3-2-12-24-14)13-19-7-9-20(10-8-19)17(22)15-4-1-11-23-15/h2-3,12,15H,1,4-11,13H2,(H,18,21)/t15-/m0/s1
InChIKeyTYFXVTUCUMPMRR-HNNXBMFYSA-N
MW351.47 g/mol
LogP0.73
Rot. Bonds6

About 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide

2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 26516446) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID26516446
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCc1cccs1
InChIInChI=1S/C17H25N3O3S/c21-16(18-6-5-14-3-2-12-24-14)13-19-7-9-20(10-8-19)17(22)15-4-1-11-23-15/h2-3,12,15H,1,4-11,13H2,(H,18,21)/t15-/m0/s1
InChIKeyTYFXVTUCUMPMRR-HNNXBMFYSA-N
XLogP0.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 18088940
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78790937
4-[2-oxo-2-(2-phenylethylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,4-diazepane-1-carboxamide
CID 4521959
N-[2-(furan-2-yl)ethyl]-4-(oxolane-2-carbonyl)-N'-(2-thiophen-2-ylethyl)piperazine-1-carboximidamide
CID 110053516
6-methyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3757231
methyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]morpholine-2-carboxylate
CID 78925845
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 95763078
2-[4-(1H-pyrazol-4-yl)piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 86773374
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-prop-2-enylacetamide
CID 78787885
4-(2-oxo-2-piperidin-1-ylethyl)-N-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 86912732
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 81493901

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide (CID 26516446) is 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is O=C(CN1CCN(C(=O)[C@@H]2CCCO2)CC1)NCCc1cccs1.
What is the InChIKey of 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is TYFXVTUCUMPMRR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c21-16(18-6-5-14-3-2-12-24-14)13-19-7-9-20(10-8-19)17(22)15-4-1-11-23-15/h2-3,12,15H,1,4-11,13H2,(H,18,21)/t15-/m0/s1.
What are the key properties of 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide?
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 351.47 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 26516446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).