1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

C17H30N4O5S — CID 55558529

IUPAC1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCC1CC(C)CN(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C17H30N4O5S/c1-14-11-15(2)13-21(12-14)27(24,25)20-5-3-18(4-6-20)16(22)17(23)19-7-9-26-10-8-19/h14-15H,3-13H2,1-2H3
InChIKeyUXENTZLUFCOVBT-UHFFFAOYSA-N
MW402.52 g/mol
LogP-0.79
Rot. Bonds2

About 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 55558529) has the molecular formula C17H30N4O5S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID55558529
Molecular FormulaC17H30N4O5S
Molecular Weight402.52 g/mol
Exact Mass402.19
IUPAC Name1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESCC1CC(C)CN(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1
InChIInChI=1S/C17H30N4O5S/c1-14-11-15(2)13-21(12-14)27(24,25)20-5-3-18(4-6-20)16(22)17(23)19-7-9-26-10-8-19/h14-15H,3-13H2,1-2H3
InChIKeyUXENTZLUFCOVBT-UHFFFAOYSA-N
XLogP-0.79
TPSA90.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 5-0.79
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

1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
3,5-dimethyl-1-pyrrolidin-1-ylsulfonylpiperidine
CID 60723835
1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]sulfonyl-4-methylpiperazine
CID 55621429
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylpiperazine
CID 28775925
4-(3,5-dimethylpiperidin-1-yl)sulfonylmorpholine-2-carboxamide
CID 49460924
(2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 42947009
(Z)-3-(3,5-dimethylpiperidin-1-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843695
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-4-pyrrolidin-1-ylpentan-1-one
CID 46979836
[(2S,4S)-2-methylpiperidin-4-yl]-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 120622918
(6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide
CID 124983384
1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 128925402
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120672794

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (CID 55558529) is 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is CC1CC(C)CN(S(=O)(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)C1.
What is the InChIKey of 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is UXENTZLUFCOVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O5S/c1-14-11-15(2)13-21(12-14)27(24,25)20-5-3-18(4-6-20)16(22)17(23)19-7-9-26-10-8-19/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 402.52 g/mol, XLogP of -0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 55558529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).