4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one

C19H25N3O4S — CID 95861393

IUPAC4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one
SMILESCSc1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C19H25N3O4S/c1-27-16-4-2-14(3-5-16)10-19(25)22-8-9-26-13-15(22)11-18(24)21-7-6-20-17(23)12-21/h2-5,15H,6-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyDUZROCMTTUGVBY-HNNXBMFYSA-N
MW391.49 g/mol
LogP0.53
Rot. Bonds5

About 4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one

4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one (PubChem CID 95861393) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one
PubChem CID95861393
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one
SMILESCSc1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C19H25N3O4S/c1-27-16-4-2-14(3-5-16)10-19(25)22-8-9-26-13-15(22)11-18(24)21-7-6-20-17(23)12-21/h2-5,15H,6-13H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyDUZROCMTTUGVBY-HNNXBMFYSA-N
XLogP0.53
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{2-[4-(Methylsulfanyl)phenyl]ethyl}-1-(morpholine-4-sulfonyl)piperidine-3-carboxamide
CID 22552795
N-(2-morpholin-4-ylethyl)-2-phenyl-2-phenylthioacetamide
CID 3843296
8-{[4-(methylsulfonyl)phenyl]acetyl}hexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50969988
2-[(2-Fluorophenyl)methyl]-5-(morpholine-4-carbonyl)thiomorpholin-3-one
CID 45807323
5-(3-Ethoxypiperidine-1-carbonyl)-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one
CID 47910754
(2R,5R)-5-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one
CID 97029519
(2R,5S)-5-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one
CID 97029521
(2S,5R)-5-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one
CID 100855001
(2S,5S)-5-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-[(2-fluorophenyl)methyl]thiomorpholin-3-one
CID 100855005
2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 3546363
3-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 4085179
N-(1'-methyl-1,4'-bipiperidin-3-yl)-2-[4-(methylthio)phenyl]acetamide
CID 45168680

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one (CID 95861393) is 4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one is CSc1ccc(CC(=O)N2CCOC[C@@H]2CC(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one?
The InChIKey is DUZROCMTTUGVBY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-27-16-4-2-14(3-5-16)10-19(25)22-8-9-26-13-15(22)11-18(24)21-7-6-20-17(23)12-21/h2-5,15H,6-13H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one?
4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one has a molecular weight of 391.49 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3S)-4-[2-(4-methylsulfanylphenyl)acetyl]morpholin-3-yl]acetyl]piperazin-2-one is sourced from PubChem (CID 95861393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).