2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone

C15H22N4O4S — CID 55824192

IUPAC2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H22N4O4S/c20-15(13-17-8-10-23-11-9-17)18-4-6-19(7-5-18)24(21,22)14-2-1-3-16-12-14/h1-3,12H,4-11,13H2
InChIKeyYUPBYFMKBNMWSN-UHFFFAOYSA-N
MW354.43 g/mol
LogP-0.75
Rot. Bonds4

About 2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone

2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 55824192) has the molecular formula C15H22N4O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID55824192
Molecular FormulaC15H22N4O4S
Molecular Weight354.43 g/mol
Exact Mass354.14
IUPAC Name2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C15H22N4O4S/c20-15(13-17-8-10-23-11-9-17)18-4-6-19(7-5-18)24(21,22)14-2-1-3-16-12-14/h1-3,12H,4-11,13H2
InChIKeyYUPBYFMKBNMWSN-UHFFFAOYSA-N
XLogP-0.75
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697164
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 78896837
1-piperazin-1-yl-3-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120982459
1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 39010181
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426
1-[4-[1-(4-chlorophenyl)sulfonylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55485951
3-(2,3-dichlorophenyl)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-1-one
CID 46460569
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 27510115
2-morpholin-4-yl-1-[3-(pyridin-3-ylmethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]ethanone
CID 118789179
morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone
CID 55638328

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone (CID 55824192) is 2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone is O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of 2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is YUPBYFMKBNMWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4S/c20-15(13-17-8-10-23-11-9-17)18-4-6-19(7-5-18)24(21,22)14-2-1-3-16-12-14/h1-3,12H,4-11,13H2.
What are the key properties of 2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone?
2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 354.43 g/mol, XLogP of -0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 55824192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).