ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate

C19H26N2O7S — CID 43853493

IUPACethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)C1
InChIInChI=1S/C19H26N2O7S/c1-2-28-19(24)14-4-3-7-20(13-14)18(23)16-12-15(5-6-17(16)22)29(25,26)21-8-10-27-11-9-21/h5-6,12,14,22H,2-4,7-11,13H2,1H3
InChIKeyZTDIOFHYYWPZBD-UHFFFAOYSA-N
MW426.49 g/mol
LogP0.83
Rot. Bonds5

About ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate

ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate (PubChem CID 43853493) has the molecular formula C19H26N2O7S and a molecular weight of 426.49 g/mol. Its IUPAC name is ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate
PubChem CID43853493
Molecular FormulaC19H26N2O7S
Molecular Weight426.49 g/mol
Exact Mass426.15
IUPAC Nameethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)C1
InChIInChI=1S/C19H26N2O7S/c1-2-28-19(24)14-4-3-7-20(13-14)18(23)16-12-15(5-6-17(16)22)29(25,26)21-8-10-27-11-9-21/h5-6,12,14,22H,2-4,7-11,13H2,1H3
InChIKeyZTDIOFHYYWPZBD-UHFFFAOYSA-N
XLogP0.83
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate
CID 4151785
(3-cyclopropylpiperidin-1-yl)-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 167983174
ethyl 1-(4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylate
CID 22552057
(2-methyl-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 27445751
ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
CID 2198274
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
ethyl (3S)-1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylate
CID 42524067
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate (CID 43853493) is ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2O)C1.
What is the InChIKey of ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate?
The InChIKey is ZTDIOFHYYWPZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O7S/c1-2-28-19(24)14-4-3-7-20(13-14)18(23)16-12-15(5-6-17(16)22)29(25,26)21-8-10-27-11-9-21/h5-6,12,14,22H,2-4,7-11,13H2,1H3.
What are the key properties of ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate?
ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate has a molecular weight of 426.49 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-hydroxy-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 43853493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).