(3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone

C23H30N2O2S — CID 131914126

IUPAC(3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCCC2CCc2cccs2)ccc1N1CCOCC1
InChIInChI=1S/C23H30N2O2S/c1-18-17-19(7-10-22(18)24-12-14-27-15-13-24)23(26)25-11-3-2-5-20(25)8-9-21-6-4-16-28-21/h4,6-7,10,16-17,20H,2-3,5,8-9,11-15H2,1H3
InChIKeyASVGOQGFFMKZGO-UHFFFAOYSA-N
MW398.57 g/mol
LogP4.52
Rot. Bonds5

About (3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone

(3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone (PubChem CID 131914126) has the molecular formula C23H30N2O2S and a molecular weight of 398.57 g/mol. Its IUPAC name is (3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
PubChem CID131914126
Molecular FormulaC23H30N2O2S
Molecular Weight398.57 g/mol
Exact Mass398.20
IUPAC Name(3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCCC2CCc2cccs2)ccc1N1CCOCC1
InChIInChI=1S/C23H30N2O2S/c1-18-17-19(7-10-22(18)24-12-14-27-15-13-24)23(26)25-11-3-2-5-20(25)8-9-21-6-4-16-28-21/h4,6-7,10,16-17,20H,2-3,5,8-9,11-15H2,1H3
InChIKeyASVGOQGFFMKZGO-UHFFFAOYSA-N
XLogP4.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

morpholin-4-yl-[4-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]phenyl]methanone
CID 131910259
morpholin-4-yl-[(2S)-2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 95708561
1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131916813
(2-methyl-1,3-thiazol-4-yl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 70724327
(4-methoxy-3-morpholin-4-ylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97113189
2-[2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 70772329
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
5-methoxy-2-[(2S)-2-(2-thiophen-2-ylethyl)piperidine-1-carbonyl]pyran-4-one
CID 97203173
4-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]sulfonylmorpholine
CID 70727742
(3-methylphenyl)-[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 95111754
(2-morpholin-4-ylpyrimidin-5-yl)-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 97207141

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone (CID 131914126) is (3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCCC2CCc2cccs2)ccc1N1CCOCC1.
What is the InChIKey of (3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
The InChIKey is ASVGOQGFFMKZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2S/c1-18-17-19(7-10-22(18)24-12-14-27-15-13-24)23(26)25-11-3-2-5-20(25)8-9-21-6-4-16-28-21/h4,6-7,10,16-17,20H,2-3,5,8-9,11-15H2,1H3.
What are the key properties of (3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone?
(3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone has a molecular weight of 398.57 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-morpholin-4-ylphenyl)-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 131914126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).