1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

C16H21N3O4S — CID 55470352

IUPAC1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCc1ccsc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H21N3O4S/c1-12-2-11-24-13(12)14(20)17-3-5-18(6-4-17)15(21)16(22)19-7-9-23-10-8-19/h2,11H,3-10H2,1H3
InChIKeyGOIFTBJULCRUTN-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.20
Rot. Bonds1

About 1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 55470352) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID55470352
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC Name1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCc1ccsc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H21N3O4S/c1-12-2-11-24-13(12)14(20)17-3-5-18(6-4-17)15(21)16(22)19-7-9-23-10-8-19/h2,11H,3-10H2,1H3
InChIKeyGOIFTBJULCRUTN-UHFFFAOYSA-N
XLogP0.20
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-(3-methylthiophen-2-yl)methanone
CID 91794608
1-(3-methylthiophene-2-carbonyl)piperidin-4-one
CID 24696594
[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 31637133
1-(3-methylthiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 24704942
(4-aminopiperidin-1-yl)-(3-methylthiophen-2-yl)methanone;hydrochloride
CID 71638229
morpholin-4-yl-(3-phenylthiophen-2-yl)methanone
CID 18105345
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592
2-methyl-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]propanenitrile
CID 60692988
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 51177009
1-[2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 146083454
N-(2,6-dimethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22107886
(3-hydroxypyrrolidin-1-yl)-(3-methylthiophen-2-yl)methanone
CID 62916564

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (CID 55470352) is 1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is Cc1ccsc1C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is GOIFTBJULCRUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-12-2-11-24-13(12)14(20)17-3-5-18(6-4-17)15(21)16(22)19-7-9-23-10-8-19/h2,11H,3-10H2,1H3.
What are the key properties of 1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 351.43 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 55470352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).