4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid

C17H22N2O6S — CID 119238696

IUPAC4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1
InChIInChI=1S/C17H22N2O6S/c20-16(18-10-11-25-15(12-18)17(21)22)13-4-6-14(7-5-13)26(23,24)19-8-2-1-3-9-19/h4-7,15H,1-3,8-12H2,(H,21,22)
InChIKeyGYKCHJUMIACTHM-UHFFFAOYSA-N
MW382.44 g/mol
LogP0.79
Rot. Bonds4

About 4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid

4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid (PubChem CID 119238696) has the molecular formula C17H22N2O6S and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid
PubChem CID119238696
Molecular FormulaC17H22N2O6S
Molecular Weight382.44 g/mol
Exact Mass382.12
IUPAC Name4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1
InChIInChI=1S/C17H22N2O6S/c20-16(18-10-11-25-15(12-18)17(21)22)13-4-6-14(7-5-13)26(23,24)19-8-2-1-3-9-19/h4-7,15H,1-3,8-12H2,(H,21,22)
InChIKeyGYKCHJUMIACTHM-UHFFFAOYSA-N
XLogP0.79
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(trifluoromethylsulfonyl)benzoyl]morpholine-2-carboxylic acid
CID 126795264
4-[4-(difluoromethylsulfonyl)benzoyl]morpholine-2-carboxylic acid
CID 119358136
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
4-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]morpholine-2-carboxylic acid
CID 119358030
azepan-1-yl-[4-(2-methylmorpholin-4-yl)sulfonylphenyl]methanone
CID 110343797
4-[2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetyl]morpholine-2-carboxylic acid
CID 119239114
1-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]pyrrolidine-3-carboxylic acid
CID 119354632
4-[4-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxylic acid
CID 119357981
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 2330606
4-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119239175
4-[4-(2-oxopiperidin-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 126793187

Frequently Asked Questions

What is the IUPAC name of 4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid (CID 119238696) is 4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1.
What is the InChIKey of 4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid?
The InChIKey is GYKCHJUMIACTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O6S/c20-16(18-10-11-25-15(12-18)17(21)22)13-4-6-14(7-5-13)26(23,24)19-8-2-1-3-9-19/h4-7,15H,1-3,8-12H2,(H,21,22).
What are the key properties of 4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid?
4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid has a molecular weight of 382.44 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 119238696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).