6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid

C18H24N2O6S — CID 122104210

IUPAC6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O6S/c1-13-2-3-15(18(22)23)12-20(13)27(24,25)16-6-4-14(5-7-16)17(21)19-8-10-26-11-9-19/h4-7,13,15H,2-3,8-12H2,1H3,(H,22,23)
InChIKeyWIVVNXNAVGMTLW-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.03
Rot. Bonds4

About 6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid

6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid (PubChem CID 122104210) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is 6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid
PubChem CID122104210
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC Name6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H24N2O6S/c1-13-2-3-15(18(22)23)12-20(13)27(24,25)16-6-4-14(5-7-16)17(21)19-8-10-26-11-9-19/h4-7,13,15H,2-3,8-12H2,1H3,(H,22,23)
InChIKeyWIVVNXNAVGMTLW-UHFFFAOYSA-N
XLogP1.03
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[4-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-3-carboxylic acid
CID 119113675
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 8713585
6-methyl-1-(4-propylsulfonylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 122104625
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-6-methylpiperidine-3-carboxylic acid
CID 122083322
6-methyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 122083316
1-[4-(3-methylpiperidin-1-yl)sulfonylbenzoyl]pyrrolidine-3-carboxylic acid
CID 119354632
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 2332587
(4-aminopiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119376603
6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid
CID 122083302
[4-(4-benzoyl-2-methylpiperazin-1-yl)sulfonylphenyl]-phenylmethanone
CID 59007124
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid (CID 122104210) is 6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid?
The InChIKey is WIVVNXNAVGMTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S/c1-13-2-3-15(18(22)23)12-20(13)27(24,25)16-6-4-14(5-7-16)17(21)19-8-10-26-11-9-19/h4-7,13,15H,2-3,8-12H2,1H3,(H,22,23).
What are the key properties of 6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid?
6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid has a molecular weight of 396.47 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[4-(morpholine-4-carbonyl)phenyl]sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122104210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).