(4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone

C26H34N4O5S — CID 90617189

IUPAC(4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C26H34N4O5S/c31-26(21-1-3-25(4-2-21)36(32,33)30-17-19-34-20-18-30)29-13-7-22(8-14-29)28-15-9-24(10-16-28)35-23-5-11-27-12-6-23/h1-6,11-12,22,24H,7-10,13-20H2
InChIKeyBNYLZSAHHYSUSU-UHFFFAOYSA-N
MW514.65 g/mol
LogP2.25
Rot. Bonds6

About (4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone

(4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 90617189) has the molecular formula C26H34N4O5S and a molecular weight of 514.65 g/mol. Its IUPAC name is (4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID90617189
Molecular FormulaC26H34N4O5S
Molecular Weight514.65 g/mol
Exact Mass514.22
IUPAC Name(4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1
InChIInChI=1S/C26H34N4O5S/c31-26(21-1-3-25(4-2-21)36(32,33)30-17-19-34-20-18-30)29-13-7-22(8-14-29)28-15-9-24(10-16-28)35-23-5-11-27-12-6-23/h1-6,11-12,22,24H,7-10,13-20H2
InChIKeyBNYLZSAHHYSUSU-UHFFFAOYSA-N
XLogP2.25
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.65
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-methoxyethoxy)phenyl]-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617275
[4-[1-(oxan-4-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26314860
4-[1-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617485
1,2-oxazol-5-yl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617084
(3-methoxy-2-methylindazol-6-yl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617259
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
4-[1-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617490
cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
(4-aminophenyl)-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 158649732
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971

Frequently Asked Questions

What is the IUPAC name of (4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone (CID 90617189) is (4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(N2CCC(Oc3ccncc3)CC2)CC1.
What is the InChIKey of (4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is BNYLZSAHHYSUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5S/c31-26(21-1-3-25(4-2-21)36(32,33)30-17-19-34-20-18-30)29-13-7-22(8-14-29)28-15-9-24(10-16-28)35-23-5-11-27-12-6-23/h1-6,11-12,22,24H,7-10,13-20H2.
What are the key properties of (4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone?
(4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 514.65 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-morpholin-4-ylsulfonylphenyl)-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 90617189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).