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

C20H28N2O6S — CID 4143472

IUPACethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1
InChIInChI=1S/C20H28N2O6S/c1-3-28-20(24)16-6-8-21(9-7-16)19(23)18-14-17(5-4-15(18)2)29(25,26)22-10-12-27-13-11-22/h4-5,14,16H,3,6-13H2,1-2H3
InChIKeyOFPJUUHHMFWPEC-UHFFFAOYSA-N
MW424.52 g/mol
LogP1.43
Rot. Bonds5

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

ethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate (PubChem CID 4143472) has the molecular formula C20H28N2O6S and a molecular weight of 424.52 g/mol. Its IUPAC name is ethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate
PubChem CID4143472
Molecular FormulaC20H28N2O6S
Molecular Weight424.52 g/mol
Exact Mass424.17
IUPAC Nameethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1
InChIInChI=1S/C20H28N2O6S/c1-3-28-20(24)16-6-8-21(9-7-16)19(23)18-14-17(5-4-15(18)2)29(25,26)22-10-12-27-13-11-22/h4-5,14,16H,3,6-13H2,1-2H3
InChIKeyOFPJUUHHMFWPEC-UHFFFAOYSA-N
XLogP1.43
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
[4-(2-Methyl-piperidine-1-sulfonyl)-phenyl]-morpholin-4-yl-methanone
CID 2889869
Methyl 1-[2-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 3367827
1-[3-(2,6-Dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidine-4-carboxamide
CID 4100781
(2,6-Dimethylpiperidin-1-yl)-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 4230482
ethyl 1-[(E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoyl]piperidine-4-carboxylate
CID 5845050
[2-Methyl-5-(morpholine-4-sulfonyl)-phenyl]-pyrrolidin-1-yl-methanone
CID 6459647
(4-methyl-3-(morpholinosulfonyl)phenyl)(octahydroisoquinolin-2(1H)-yl)methanone
CID 25004304
ethyl (3R)-1-[4-(diethylcarbamoyl)phenyl]sulfonylpiperidine-3-carboxylate
CID 162365373
4-(Morpholine-4-carbonyl)-N,N-dipropyl-benzenesulfonamide
CID 1070318
N-Cyclopentyl-2-methyl-5-(morpholine-4-sulfonyl)-benzamide
CID 1087796
4-{4-[(4-Methyl-1-piperidinyl)sulfonyl]benzoyl}morpholine
CID 1506392

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate (CID 4143472) is ethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1.
What is the InChIKey of ethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate?
The InChIKey is OFPJUUHHMFWPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6S/c1-3-28-20(24)16-6-8-21(9-7-16)19(23)18-14-17(5-4-15(18)2)29(25,26)22-10-12-27-13-11-22/h4-5,14,16H,3,6-13H2,1-2H3.
What are the key properties of ethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate?
ethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate has a molecular weight of 424.52 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methyl-5-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 4143472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).