benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

C23H28N2O5S — CID 24687259

IUPACbenzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C23H28N2O5S/c26-23(30-18-19-7-3-1-4-8-19)21-17-20(31(27,28)25-11-5-2-6-12-25)9-10-22(21)24-13-15-29-16-14-24/h1,3-4,7-10,17H,2,5-6,11-16,18H2
InChIKeyXOECKCUQWRDYCP-UHFFFAOYSA-N
MW444.55 g/mol
LogP3.05
Rot. Bonds6

About benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate

benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (PubChem CID 24687259) has the molecular formula C23H28N2O5S and a molecular weight of 444.55 g/mol. Its IUPAC name is benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Namebenzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
PubChem CID24687259
Molecular FormulaC23H28N2O5S
Molecular Weight444.55 g/mol
Exact Mass444.17
IUPAC Namebenzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
InChIInChI=1S/C23H28N2O5S/c26-23(30-18-19-7-3-1-4-8-19)21-17-20(31(27,28)25-11-5-2-6-12-25)9-10-22(21)24-13-15-29-16-14-24/h1,3-4,7-10,17H,2,5-6,11-16,18H2
InChIKeyXOECKCUQWRDYCP-UHFFFAOYSA-N
XLogP3.05
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.55
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3-carbamoylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55640864
2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-N-phenylmethoxybenzamide
CID 55360382
(2,5-dimethylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 16543802
2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55355273
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 4317954
phenyl 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 8765391
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 29201099
3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 55331545
[2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 4211153
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
N,N-diethyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 55335115

Frequently Asked Questions

What is the IUPAC name of benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate (CID 24687259) is benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is O=C(OCc1ccccc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1.
What is the InChIKey of benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
The InChIKey is XOECKCUQWRDYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O5S/c26-23(30-18-19-7-3-1-4-8-19)21-17-20(31(27,28)25-11-5-2-6-12-25)9-10-22(21)24-13-15-29-16-14-24/h1,3-4,7-10,17H,2,5-6,11-16,18H2.
What are the key properties of benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate?
benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate has a molecular weight of 444.55 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 24687259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).