4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one

C20H22N4O5S — CID 126855625

IUPAC4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2cccnc2)C(=O)C1
InChIInChI=1S/C20H22N4O5S/c25-19-15-22(8-9-24(19)17-2-1-7-21-14-17)20(26)16-3-5-18(6-4-16)30(27,28)23-10-12-29-13-11-23/h1-7,14H,8-13,15H2
InChIKeyIBPKYAJKBNGSHC-UHFFFAOYSA-N
MW430.49 g/mol
LogP0.59
Rot. Bonds4

About 4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one

4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one (PubChem CID 126855625) has the molecular formula C20H22N4O5S and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one
PubChem CID126855625
Molecular FormulaC20H22N4O5S
Molecular Weight430.49 g/mol
Exact Mass430.13
IUPAC Name4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2cccnc2)C(=O)C1
InChIInChI=1S/C20H22N4O5S/c25-19-15-22(8-9-24(19)17-2-1-7-21-14-17)20(26)16-3-5-18(6-4-16)30(27,28)23-10-12-29-13-11-23/h1-7,14H,8-13,15H2
InChIKeyIBPKYAJKBNGSHC-UHFFFAOYSA-N
XLogP0.59
TPSA100.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855628
4-(pyridine-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855620
4-morpholin-4-ylsulfonyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 90521460
[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
CID 167855801
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
(11bR)-2-(4-morpholin-4-ylsulfonylbenzoyl)-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 51711401
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
(4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30936355
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90506482
4-(2-bromophenyl)sulfonyl-1-pyridin-3-ylpiperazin-2-one
CID 126855640
2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 55824192

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one?
The IUPAC name of 4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one (CID 126855625) is 4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one.
What is the SMILES notation for 4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one?
The canonical SMILES for 4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2cccnc2)C(=O)C1.
What is the InChIKey of 4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one?
The InChIKey is IBPKYAJKBNGSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5S/c25-19-15-22(8-9-24(19)17-2-1-7-21-14-17)20(26)16-3-5-18(6-4-16)30(27,28)23-10-12-29-13-11-23/h1-7,14H,8-13,15H2.
What are the key properties of 4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one?
4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one has a molecular weight of 430.49 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one is sourced from PubChem (CID 126855625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).