(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone

C21H26N4O4S — CID 122259844

IUPAC(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C21H26N4O4S/c26-21(24-12-4-5-18(15-24)29-20-10-11-22-16-23-20)17-6-8-19(9-7-17)30(27,28)25-13-2-1-3-14-25/h6-11,16,18H,1-5,12-15H2
InChIKeyAMZCOIMJADZLIR-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.33
Rot. Bonds5

About (4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone

(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone (PubChem CID 122259844) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is (4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
PubChem CID122259844
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C21H26N4O4S/c26-21(24-12-4-5-18(15-24)29-20-10-11-22-16-23-20)17-6-8-19(9-7-17)30(27,28)25-13-2-1-3-14-25/h6-11,16,18H,1-5,12-15H2
InChIKeyAMZCOIMJADZLIR-UHFFFAOYSA-N
XLogP2.33
TPSA92.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 122257847
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 122260327
4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260064
1-[4-(4-pyrimidin-4-yloxypiperidin-1-yl)sulfonylphenyl]ethanone
CID 121162251
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 122268086
1,3-benzodioxol-5-yl-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122161050
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122259782
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90638724
(3-fluoro-4-methoxyphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259973
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783
4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260059
4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260073

Frequently Asked Questions

What is the IUPAC name of (4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The IUPAC name of (4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone (CID 122259844) is (4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The canonical SMILES for (4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone is O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of (4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
The InChIKey is AMZCOIMJADZLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c26-21(24-12-4-5-18(15-24)29-20-10-11-22-16-23-20)17-6-8-19(9-7-17)30(27,28)25-13-2-1-3-14-25/h6-11,16,18H,1-5,12-15H2.
What are the key properties of (4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone?
(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone has a molecular weight of 430.53 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 122259844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).