[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

C14H18N2O3S — CID 95797532

IUPAC[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)C1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C14H18N2O3S/c17-12(13-15-5-9-20-13)10-3-6-16(7-4-10)14(18)11-2-1-8-19-11/h5,9-11H,1-4,6-8H2/t11-/m1/s1
InChIKeyGPYXBQHAPJSUOE-LLVKDONJSA-N
MW294.38 g/mol
LogP1.74
Rot. Bonds3

About [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone

[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 95797532) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID95797532
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone
SMILESO=C(c1nccs1)C1CCN(C(=O)[C@H]2CCCO2)CC1
InChIInChI=1S/C14H18N2O3S/c17-12(13-15-5-9-20-13)10-3-6-16(7-4-10)14(18)11-2-1-8-19-11/h5,9-11H,1-4,6-8H2/t11-/m1/s1
InChIKeyGPYXBQHAPJSUOE-LLVKDONJSA-N
XLogP1.74
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125
(3,4-dimethylphenyl)-[1-(oxolane-2-carbonyl)piperidin-4-yl]methanone
CID 110394194
1-[4-[1-(oxolane-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 113003827
N,N-dimethyl-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 110350799
(4-methanidylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 59620099
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
oxolan-2-yl-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078894
[(2S)-oxolan-2-yl]-[4-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51963972
cyclooctyl-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]methanone
CID 97216636
oxan-2-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 74238548

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone (CID 95797532) is [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is O=C(c1nccs1)C1CCN(C(=O)[C@H]2CCCO2)CC1.
What is the InChIKey of [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is GPYXBQHAPJSUOE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-12(13-15-5-9-20-13)10-3-6-16(7-4-10)14(18)11-2-1-8-19-11/h5,9-11H,1-4,6-8H2/t11-/m1/s1.
What are the key properties of [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone?
[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 294.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 95797532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).