4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide

C16H28N6O4S — CID 55695335

IUPAC4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)n(C)n1
InChIInChI=1S/C16H28N6O4S/c1-12-9-15(19(4)18-12)17-16(23)20-5-7-21(8-6-20)27(24,25)22-10-13(2)26-14(3)11-22/h9,13-14H,5-8,10-11H2,1-4H3,(H,17,23)
InChIKeyXCIBZRUKGIZSBN-UHFFFAOYSA-N
MW400.51 g/mol
LogP0.23
Rot. Bonds3

About 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide (PubChem CID 55695335) has the molecular formula C16H28N6O4S and a molecular weight of 400.51 g/mol. Its IUPAC name is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
PubChem CID55695335
Molecular FormulaC16H28N6O4S
Molecular Weight400.51 g/mol
Exact Mass400.19
IUPAC Name4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)n(C)n1
InChIInChI=1S/C16H28N6O4S/c1-12-9-15(19(4)18-12)17-16(23)20-5-7-21(8-6-20)27(24,25)22-10-13(2)26-14(3)11-22/h9,13-14H,5-8,10-11H2,1-4H3,(H,17,23)
InChIKeyXCIBZRUKGIZSBN-UHFFFAOYSA-N
XLogP0.23
TPSA100.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 46452768
4-[2-(diethylamino)-2-oxoethyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 60565258
(3S)-N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 94824109
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 51938857
4-[(4-chlorophenyl)methyl]-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 138041503
[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 51937047
N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide
CID 43063026
4-(5-chloro-2-fluorobenzoyl)-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide
CID 51116250
N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 47025765
(3S,4R)-1-(2,6-dimethylmorpholin-4-yl)sulfonylpyrrolidine-3,4-diol
CID 79410684
[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 51937054
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide (CID 55695335) is 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide is Cc1cc(NC(=O)N2CCN(S(=O)(=O)N3CC(C)OC(C)C3)CC2)n(C)n1.
What is the InChIKey of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
The InChIKey is XCIBZRUKGIZSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O4S/c1-12-9-15(19(4)18-12)17-16(23)20-5-7-21(8-6-20)27(24,25)22-10-13(2)26-14(3)11-22/h9,13-14H,5-8,10-11H2,1-4H3,(H,17,23).
What are the key properties of 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide?
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide has a molecular weight of 400.51 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 55695335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).