cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate

C18H23N3O5S — CID 29201099

IUPACcyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
SMILESN#CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C18H23N3O5S/c19-6-11-26-18(22)16-14-15(27(23,24)21-9-12-25-13-10-21)4-5-17(16)20-7-2-1-3-8-20/h4-5,14H,1-3,7-13H2
InChIKeyVYIPRWMMVRWGIM-UHFFFAOYSA-N
MW393.47 g/mol
LogP1.38
Rot. Bonds5

About cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate

cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate (PubChem CID 29201099) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate.

Molecular Properties

Compound Namecyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
PubChem CID29201099
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Namecyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
SMILESN#CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C18H23N3O5S/c19-6-11-26-18(22)16-14-15(27(23,24)21-9-12-25-13-10-21)4-5-17(16)20-7-2-1-3-8-20/h4-5,14H,1-3,7-13H2
InChIKeyVYIPRWMMVRWGIM-UHFFFAOYSA-N
XLogP1.38
TPSA99.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 4211153
phenyl 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 8765391
benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 24687259
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 55325716
2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55355273
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 41124338
3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 55331545
2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 2433198
(2,5-dimethylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 16543802
(3-carbamoylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55640864
2-methyl-1-[4-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one
CID 55336704
N-cyclohexyl-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 4825496

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
The IUPAC name of cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate (CID 29201099) is cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate.
What is the SMILES notation for cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
The canonical SMILES for cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate is N#CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1.
What is the InChIKey of cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
The InChIKey is VYIPRWMMVRWGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5S/c19-6-11-26-18(22)16-14-15(27(23,24)21-9-12-25-13-10-21)4-5-17(16)20-7-2-1-3-8-20/h4-5,14H,1-3,7-13H2.
What are the key properties of cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate has a molecular weight of 393.47 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate is sourced from PubChem (CID 29201099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).