[(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride

C15H23ClN2O2S — CID 120637241

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CCOC(c3ccsc3)C2)CCN1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-11-8-12(2-4-16-11)15(18)17-5-6-19-14(9-17)13-3-7-20-10-13;/h3,7,10-12,14,16H,2,4-6,8-9H2,1H3;1H/t11-,12-,14?;/m0./s1
InChIKeyNVWVSJDZPAYDIM-XROLDHBGSA-N
MW330.88 g/mol
LogP2.46
Rot. Bonds2

About [(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride

[(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride (PubChem CID 120637241) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
PubChem CID120637241
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)N2CCOC(c3ccsc3)C2)CCN1.Cl
InChIInChI=1S/C15H22N2O2S.ClH/c1-11-8-12(2-4-16-11)15(18)17-5-6-19-14(9-17)13-3-7-20-10-13;/h3,7,10-12,14,16H,2,4-6,8-9H2,1H3;1H/t11-,12-,14?;/m0./s1
InChIKeyNVWVSJDZPAYDIM-XROLDHBGSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride with MolForge

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Related Compounds

[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823
piperidin-2-yl-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 119339142
(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120641337
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
2-thiomorpholin-3-yl-1-(2-thiophen-3-ylmorpholin-4-yl)ethanone;hydrochloride
CID 119940145
4-amino-1-(2-thiophen-3-ylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 120563675
(3-aminocyclopentyl)-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)methanone
CID 119810914
(2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120623489
5-(2-thiophen-3-ylmorpholine-4-carbonyl)pyridine-2-carboxylic acid
CID 120533579
[2-(3-bromophenyl)morpholin-4-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119308183
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
CID 63005450

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride (CID 120637241) is [(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride is C[C@H]1C[C@@H](C(=O)N2CCOC(c3ccsc3)C2)CCN1.Cl.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride?
The InChIKey is NVWVSJDZPAYDIM-XROLDHBGSA-N. The full InChI is InChI=1S/C15H22N2O2S.ClH/c1-11-8-12(2-4-16-11)15(18)17-5-6-19-14(9-17)13-3-7-20-10-13;/h3,7,10-12,14,16H,2,4-6,8-9H2,1H3;1H/t11-,12-,14?;/m0./s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride?
[(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride has a molecular weight of 330.88 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120637241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).