[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone

C16H24N2O2S — CID 95111790

IUPAC[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC[C@H]1CCN1CCOCC1
InChIInChI=1S/C16H24N2O2S/c19-16(14-5-12-21-13-14)18-6-2-1-3-15(18)4-7-17-8-10-20-11-9-17/h5,12-13,15H,1-4,6-11H2/t15-/m0/s1
InChIKeyZWKXAUYELJDIDH-HNNXBMFYSA-N
MW308.45 g/mol
LogP2.47
Rot. Bonds4

About [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone

[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 95111790) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID95111790
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCCC[C@H]1CCN1CCOCC1
InChIInChI=1S/C16H24N2O2S/c19-16(14-5-12-21-13-14)18-6-2-1-3-15(18)4-7-17-8-10-20-11-9-17/h5,12-13,15H,1-4,6-11H2/t15-/m0/s1
InChIKeyZWKXAUYELJDIDH-HNNXBMFYSA-N
XLogP2.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
(3-methylthiophen-2-yl)-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 53193426
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
1,3-benzodioxol-5-yl-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111788
(2-ethylpyrimidin-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97121729
phenyl-[(2S)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 29348343
(2-methyl-1,3-thiazol-5-yl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 97109668
pyridin-4-yl-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 95111669
phenyl-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone;hydrochloride
CID 52984889
phenyl-[(2S)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]methanone
CID 40776058
[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 96580443
[3-(hydroxymethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 71785831

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 95111790) is [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCCC[C@H]1CCN1CCOCC1.
What is the InChIKey of [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is ZWKXAUYELJDIDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-16(14-5-12-21-13-14)18-6-2-1-3-15(18)4-7-17-8-10-20-11-9-17/h5,12-13,15H,1-4,6-11H2/t15-/m0/s1.
What are the key properties of [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 308.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 95111790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).