4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid

C15H20N4O6S — CID 119181220

IUPAC4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccn1
InChIInChI=1S/C15H20N4O6S/c20-14(12-1-2-16-13(11-12)15(21)22)17-3-5-18(6-4-17)26(23,24)19-7-9-25-10-8-19/h1-2,11H,3-10H2,(H,21,22)
InChIKeyGJTQSFBTXROEDZ-UHFFFAOYSA-N
MW384.41 g/mol
LogP-0.89
Rot. Bonds4

About 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid

4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 119181220) has the molecular formula C15H20N4O6S and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID119181220
Molecular FormulaC15H20N4O6S
Molecular Weight384.41 g/mol
Exact Mass384.11
IUPAC Name4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccn1
InChIInChI=1S/C15H20N4O6S/c20-14(12-1-2-16-13(11-12)15(21)22)17-3-5-18(6-4-17)26(23,24)19-7-9-25-10-8-19/h1-2,11H,3-10H2,(H,21,22)
InChIKeyGJTQSFBTXROEDZ-UHFFFAOYSA-N
XLogP-0.89
TPSA120.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

morpholin-4-yl-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-4-pyridinyl]methanone
CID 109082844
[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
4-[4-(thiophene-3-carbonyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181949
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000
4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113385057
4-(3,5-dimethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700611
4-[4-(2-methylpropanoyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119181875
(3-methylfuran-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 38458239
4-(3,6-dihydro-2H-pyridine-1-carbonyl)pyridine-2-carboxylic acid
CID 114412276
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
(4-morpholin-4-ylsulfonylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 1256130
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid (CID 119181220) is 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid is O=C(O)c1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccn1.
What is the InChIKey of 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is GJTQSFBTXROEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O6S/c20-14(12-1-2-16-13(11-12)15(21)22)17-3-5-18(6-4-17)26(23,24)19-7-9-25-10-8-19/h1-2,11H,3-10H2,(H,21,22).
What are the key properties of 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid?
4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 384.41 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 119181220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).