3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate

C24H31N3O5S — CID 55331545

IUPAC3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
SMILESO=C(OCCCc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C24H31N3O5S/c28-24(32-15-5-7-20-6-4-10-25-19-20)22-18-21(33(29,30)27-13-16-31-17-14-27)8-9-23(22)26-11-2-1-3-12-26/h4,6,8-10,18-19H,1-3,5,7,11-17H2
InChIKeyBXJLEVAFEPOROY-UHFFFAOYSA-N
MW473.60 g/mol
LogP2.88
Rot. Bonds8

About 3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate

3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate (PubChem CID 55331545) has the molecular formula C24H31N3O5S and a molecular weight of 473.60 g/mol. Its IUPAC name is 3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate.

Molecular Properties

Compound Name3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
PubChem CID55331545
Molecular FormulaC24H31N3O5S
Molecular Weight473.60 g/mol
Exact Mass473.20
IUPAC Name3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
SMILESO=C(OCCCc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
InChIInChI=1S/C24H31N3O5S/c28-24(32-15-5-7-20-6-4-10-25-19-20)22-18-21(33(29,30)27-13-16-31-17-14-27)8-9-23(22)26-11-2-1-3-12-26/h4,6,8-10,18-19H,1-3,5,7,11-17H2
InChIKeyBXJLEVAFEPOROY-UHFFFAOYSA-N
XLogP2.88
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.60
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pyridin-3-ylpropyl 2-morpholin-4-yl-5-nitrobenzoate
CID 55331489
benzyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 24687259
2-ethoxyethyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55355273
cyanomethyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 29201099
phenyl 5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzoate
CID 8765391
[2-(2,6-dichloroanilino)-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 4211153
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 55325716
(3-carbamoylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 55640864
2-methyl-5-morpholin-4-ylsulfonyl-N-(2-pyridin-3-ylethyl)benzamide
CID 55555141
2-phenylethyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 1081914
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate
CID 41124338
(2,5-dimethylphenyl)methyl 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate
CID 16543802

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
The IUPAC name of 3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate (CID 55331545) is 3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate.
What is the SMILES notation for 3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
The canonical SMILES for 3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate is O=C(OCCCc1cccnc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1.
What is the InChIKey of 3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
The InChIKey is BXJLEVAFEPOROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5S/c28-24(32-15-5-7-20-6-4-10-25-19-20)22-18-21(33(29,30)27-13-16-31-17-14-27)8-9-23(22)26-11-2-1-3-12-26/h4,6,8-10,18-19H,1-3,5,7,11-17H2.
What are the key properties of 3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate?
3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate has a molecular weight of 473.60 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylpropyl 5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoate is sourced from PubChem (CID 55331545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).