4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one

C20H30N4O6S — CID 55619923

IUPAC4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)C3CC(=O)N(Cc4ccco4)C3)CC2)CC(C)O1
InChIInChI=1S/C20H30N4O6S/c1-15-11-24(12-16(2)30-15)31(27,28)23-7-5-21(6-8-23)20(26)17-10-19(25)22(13-17)14-18-4-3-9-29-18/h3-4,9,15-17H,5-8,10-14H2,1-2H3
InChIKeyUYDVLKTXTOPGEI-UHFFFAOYSA-N
MW454.55 g/mol
LogP0.13
Rot. Bonds5

About 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one

4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one (PubChem CID 55619923) has the molecular formula C20H30N4O6S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
PubChem CID55619923
Molecular FormulaC20H30N4O6S
Molecular Weight454.55 g/mol
Exact Mass454.19
IUPAC Name4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
SMILESCC1CN(S(=O)(=O)N2CCN(C(=O)C3CC(=O)N(Cc4ccco4)C3)CC2)CC(C)O1
InChIInChI=1S/C20H30N4O6S/c1-15-11-24(12-16(2)30-15)31(27,28)23-7-5-21(6-8-23)20(26)17-10-19(25)22(13-17)14-18-4-3-9-29-18/h3-4,9,15-17H,5-8,10-14H2,1-2H3
InChIKeyUYDVLKTXTOPGEI-UHFFFAOYSA-N
XLogP0.13
TPSA103.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-(furan-2-ylmethyl)-4-[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55950449
(4R)-1-(furan-2-ylmethyl)-4-[4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 2450049
(4R)-1-(furan-2-ylmethyl)-4-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 93017405
1-(furan-2-ylmethyl)-4-[4-(4-hydroxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 112763061
(4S)-1-(furan-2-ylmethyl)-4-[(6S)-2,2,6-trimethylmorpholine-4-carbonyl]pyrrolidin-2-one
CID 95239410
4-(4-benzhydrylpiperazine-1-carbonyl)-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43002728
1-(furan-2-ylmethyl)-4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110023696
4-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 55339067
1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51148502
1-(furan-2-ylmethyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51263184
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
4-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one
CID 43003170

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one (CID 55619923) is 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one is CC1CN(S(=O)(=O)N2CCN(C(=O)C3CC(=O)N(Cc4ccco4)C3)CC2)CC(C)O1.
What is the InChIKey of 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is UYDVLKTXTOPGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O6S/c1-15-11-24(12-16(2)30-15)31(27,28)23-7-5-21(6-8-23)20(26)17-10-19(25)22(13-17)14-18-4-3-9-29-18/h3-4,9,15-17H,5-8,10-14H2,1-2H3.
What are the key properties of 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one?
4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 454.55 g/mol, XLogP of 0.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]-1-(furan-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 55619923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).