1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone

C20H32N4OS — CID 119941992

IUPAC1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESCN(CCN1CCN(C(=O)CC2CSCCN2)CC1)Cc1ccccc1
InChIInChI=1S/C20H32N4OS/c1-22(16-18-5-3-2-4-6-18)8-9-23-10-12-24(13-11-23)20(25)15-19-17-26-14-7-21-19/h2-6,19,21H,7-17H2,1H3
InChIKeyJLMATUDPAQRBMG-UHFFFAOYSA-N
MW376.57 g/mol
LogP1.36
Rot. Bonds7

About 1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone

1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone (PubChem CID 119941992) has the molecular formula C20H32N4OS and a molecular weight of 376.57 g/mol. Its IUPAC name is 1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone.

Molecular Properties

Compound Name1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone
PubChem CID119941992
Molecular FormulaC20H32N4OS
Molecular Weight376.57 g/mol
Exact Mass376.23
IUPAC Name1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone
SMILESCN(CCN1CCN(C(=O)CC2CSCCN2)CC1)Cc1ccccc1
InChIInChI=1S/C20H32N4OS/c1-22(16-18-5-3-2-4-6-18)8-9-23-10-12-24(13-11-23)20(25)15-19-17-26-14-7-21-19/h2-6,19,21H,7-17H2,1H3
InChIKeyJLMATUDPAQRBMG-UHFFFAOYSA-N
XLogP1.36
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119940612
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937115
1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119940178
2-(4-aminophenyl)-1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]ethanone
CID 119878570
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934886
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66421450
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942534
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936677
1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119878618
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
CID 119878565

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
The IUPAC name of 1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone (CID 119941992) is 1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone.
What is the SMILES notation for 1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
The canonical SMILES for 1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone is CN(CCN1CCN(C(=O)CC2CSCCN2)CC1)Cc1ccccc1.
What is the InChIKey of 1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
The InChIKey is JLMATUDPAQRBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4OS/c1-22(16-18-5-3-2-4-6-18)8-9-23-10-12-24(13-11-23)20(25)15-19-17-26-14-7-21-19/h2-6,19,21H,7-17H2,1H3.
What are the key properties of 1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone?
1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone has a molecular weight of 376.57 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone is sourced from PubChem (CID 119941992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).