[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

C23H28N6O4S — CID 91908228

IUPAC[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCC1(c2noc(-c3ccccc3)n2)CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1
InChIInChI=1S/C23H28N6O4S/c1-23(22-26-20(33-27-22)17-5-3-2-4-6-17)9-13-28(14-10-23)21(30)18-7-11-29(12-8-18)34(31,32)19-15-24-16-25-19/h2-6,15-16,18H,7-14H2,1H3,(H,24,25)
InChIKeyQSJZYDGSOBBYQP-UHFFFAOYSA-N
MW484.58 g/mol
LogP2.44
Rot. Bonds5

About [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone

[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (PubChem CID 91908228) has the molecular formula C23H28N6O4S and a molecular weight of 484.58 g/mol. Its IUPAC name is [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
PubChem CID91908228
Molecular FormulaC23H28N6O4S
Molecular Weight484.58 g/mol
Exact Mass484.19
IUPAC Name[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
SMILESCC1(c2noc(-c3ccccc3)n2)CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1
InChIInChI=1S/C23H28N6O4S/c1-23(22-26-20(33-27-22)17-5-3-2-4-6-17)9-13-28(14-10-23)21(30)18-7-11-29(12-8-18)34(31,32)19-15-24-16-25-19/h2-6,15-16,18H,7-14H2,1H3,(H,24,25)
InChIKeyQSJZYDGSOBBYQP-UHFFFAOYSA-N
XLogP2.44
TPSA125.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone (CID 91908228) is [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is CC1(c2noc(-c3ccccc3)n2)CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1.
What is the InChIKey of [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is QSJZYDGSOBBYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4S/c1-23(22-26-20(33-27-22)17-5-3-2-4-6-17)9-13-28(14-10-23)21(30)18-7-11-29(12-8-18)34(31,32)19-15-24-16-25-19/h2-6,15-16,18H,7-14H2,1H3,(H,24,25).
What are the key properties of [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone?
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 484.58 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91908228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).