2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone

C19H27N3O3S — CID 95763078

IUPAC2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
SMILESO=C([C@H]1CCCO1)N1CCN(CC(=O)N2CCC[C@@H]2c2cccs2)CC1
InChIInChI=1S/C19H27N3O3S/c23-18(22-7-1-4-15(22)17-6-3-13-26-17)14-20-8-10-21(11-9-20)19(24)16-5-2-12-25-16/h3,6,13,15-16H,1-2,4-5,7-12,14H2/t15-,16-/m1/s1
InChIKeyKNWFKRNTNGGKMK-HZPDHXFCSA-N
MW377.51 g/mol
LogP1.73
Rot. Bonds4

About 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone

2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone (PubChem CID 95763078) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
PubChem CID95763078
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
SMILESO=C([C@H]1CCCO1)N1CCN(CC(=O)N2CCC[C@@H]2c2cccs2)CC1
InChIInChI=1S/C19H27N3O3S/c23-18(22-7-1-4-15(22)17-6-3-13-26-17)14-20-8-10-21(11-9-20)19(24)16-5-2-12-25-16/h3,6,13,15-16H,1-2,4-5,7-12,14H2/t15-,16-/m1/s1
InChIKeyKNWFKRNTNGGKMK-HZPDHXFCSA-N
XLogP1.73
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94871156
2-[(2R)-2-methylmorpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 124737947
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 26516446
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78790937
2-[(3R)-3-methylpiperazin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 104975229
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51199552
1-[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 63031694
2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 129428107
2-(1-aminocyclobutyl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 79853993
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 62039896
2-(3-pyrazol-1-ylazetidin-1-yl)-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 95611948
1-[3-oxo-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]propyl]pyrrolidine-2,5-dione
CID 94799365

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone (CID 95763078) is 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone is O=C([C@H]1CCCO1)N1CCN(CC(=O)N2CCC[C@@H]2c2cccs2)CC1.
What is the InChIKey of 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
The InChIKey is KNWFKRNTNGGKMK-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-18(22-7-1-4-15(22)17-6-3-13-26-17)14-20-8-10-21(11-9-20)19(24)16-5-2-12-25-16/h3,6,13,15-16H,1-2,4-5,7-12,14H2/t15-,16-/m1/s1.
What are the key properties of 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone?
2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone has a molecular weight of 377.51 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-oxolane-2-carbonyl]piperazin-1-yl]-1-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95763078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).