morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone

C23H28N2O3S — CID 131910259

IUPACmorpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
SMILESO=C(c1ccc(C(=O)N2CCCCC2CCc2cccs2)cc1)N1CCOCC1
InChIInChI=1S/C23H28N2O3S/c26-22(24-13-15-28-16-14-24)18-6-8-19(9-7-18)23(27)25-12-2-1-4-20(25)10-11-21-5-3-17-29-21/h3,5-9,17,20H,1-2,4,10-16H2
InChIKeyWXIJPYNMICFJSP-UHFFFAOYSA-N
MW412.56 g/mol
LogP3.85
Rot. Bonds5

About morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone

morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone (PubChem CID 131910259) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
PubChem CID131910259
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Namemorpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
SMILESO=C(c1ccc(C(=O)N2CCCCC2CCc2cccs2)cc1)N1CCOCC1
InChIInChI=1S/C23H28N2O3S/c26-22(24-13-15-28-16-14-24)18-6-8-19(9-7-18)23(27)25-12-2-1-4-20(25)10-11-21-5-3-17-29-21/h3,5-9,17,20H,1-2,4,10-16H2
InChIKeyWXIJPYNMICFJSP-UHFFFAOYSA-N
XLogP3.85
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 95708561
(3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131914126
1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131916813
2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 70772329
(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 70724327
6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70733217
2-methyl-6-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45229333
4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine
CID 70727742
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one
CID 97203173
4-[(2R)-2-ethylpiperidine-1-carbonyl]-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 31852345
5-[(2R)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-7-one
CID 97125561

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone (CID 131910259) is morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone is O=C(c1ccc(C(=O)N2CCCCC2CCc2cccs2)cc1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone?
The InChIKey is WXIJPYNMICFJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c26-22(24-13-15-28-16-14-24)18-6-8-19(9-7-18)23(27)25-12-2-1-4-20(25)10-11-21-5-3-17-29-21/h3,5-9,17,20H,1-2,4,10-16H2.
What are the key properties of morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone?
morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone has a molecular weight of 412.56 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone is sourced from PubChem (CID 131910259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).