4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine

C20H25N3O3S — CID 58211634

IUPAC4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C20H25N3O3S/c24-27(25,20-8-4-7-19(21-20)17-5-2-1-3-6-17)23-11-9-18(10-12-23)22-13-15-26-16-14-22/h1-8,18H,9-16H2
InChIKeyJSLBDPOKXDOGEP-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.23
Rot. Bonds4

About 4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine

4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine (PubChem CID 58211634) has the molecular formula C20H25N3O3S and a molecular weight of 387.50 g/mol. Its IUPAC name is 4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine
PubChem CID58211634
Molecular FormulaC20H25N3O3S
Molecular Weight387.50 g/mol
Exact Mass387.16
IUPAC Name4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine
SMILESO=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C20H25N3O3S/c24-27(25,20-8-4-7-19(21-20)17-5-2-1-3-6-17)23-11-9-18(10-12-23)22-13-15-26-16-14-22/h1-8,18H,9-16H2
InChIKeyJSLBDPOKXDOGEP-UHFFFAOYSA-N
XLogP2.23
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
CID 58210632
4-[6-(3-Morpholin-4-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58210755
2-(3-Fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
CID 58210815
2-(4-Methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine
CID 58210955
2-Phenyl-6-(4-pyridin-4-ylpiperidin-1-yl)sulfonylpyridine
CID 58211074
2-Phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine
CID 58211112
4-[6-(2-Phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58211270
4-[6-(4-Pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58211666
2-(4-Methylpiperidin-1-yl)sulfonyl-6-phenylpyridine
CID 118715853
4-[6-(4-Piperidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58210850
4-[6-[4-(Dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile
CID 58211235
1-{[4-(Morpholin-4-ylsulfonyl)phenyl]sulfonyl}-2-(3-pyridyl)piperidine
CID 3466813

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine (CID 58211634) is 4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine is O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine?
The InChIKey is JSLBDPOKXDOGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-27(25,20-8-4-7-19(21-20)17-5-2-1-3-6-17)23-11-9-18(10-12-23)22-13-15-26-16-14-22/h1-8,18H,9-16H2.
What are the key properties of 4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine?
4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine has a molecular weight of 387.50 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(6-phenyl-2-pyridinyl)sulfonyl]piperidin-4-yl]morpholine is sourced from PubChem (CID 58211634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).