4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid

C18H24N2O6S — CID 119216310

IUPAC4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C18H24N2O6S/c1-13-5-6-14(27(24,25)19-7-3-2-4-8-19)11-15(13)17(21)20-9-10-26-12-16(20)18(22)23/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,22,23)
InChIKeyQHKMCWRVCNPNLZ-UHFFFAOYSA-N
MW396.47 g/mol
LogP1.10
Rot. Bonds4

About 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid

4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid (PubChem CID 119216310) has the molecular formula C18H24N2O6S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid
PubChem CID119216310
Molecular FormulaC18H24N2O6S
Molecular Weight396.47 g/mol
Exact Mass396.14
IUPAC Name4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCOCC1C(=O)O
InChIInChI=1S/C18H24N2O6S/c1-13-5-6-14(27(24,25)19-7-3-2-4-8-19)11-15(13)17(21)20-9-10-26-12-16(20)18(22)23/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,22,23)
InChIKeyQHKMCWRVCNPNLZ-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 125118663
(2S)-1-(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)pyrrolidine-2-carboxylic acid
CID 41273099
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8802995
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 8803000
2-methyl-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982783
[5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 28590325
cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677581
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
(2,6-dimethylmorpholin-4-yl)-(2-methyl-5-morpholin-4-ylsulfonylphenyl)methanone
CID 24982968
[5-(azepan-1-ylsulfonyl)-2-methylphenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 28590324
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 9296320

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid (CID 119216310) is 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCOCC1C(=O)O.
What is the InChIKey of 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid?
The InChIKey is QHKMCWRVCNPNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6S/c1-13-5-6-14(27(24,25)19-7-3-2-4-8-19)11-15(13)17(21)20-9-10-26-12-16(20)18(22)23/h5-6,11,16H,2-4,7-10,12H2,1H3,(H,22,23).
What are the key properties of 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid?
4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid has a molecular weight of 396.47 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 119216310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).