[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone

C26H30N2O6S — CID 162184215

IUPAC[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2cccc(CS(=O)(=O)C3CCOC3)c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C26H30N2O6S/c29-24(27-11-13-28(14-12-27)25(30)26(31)9-10-26)21-6-4-20(5-7-21)22-3-1-2-19(16-22)18-35(32,33)23-8-15-34-17-23/h1-7,16,23,31H,8-15,17-18H2
InChIKeyZPLDSLFAVMGWSH-UHFFFAOYSA-N
MW498.60 g/mol
LogP1.87
Rot. Bonds6

About [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone

[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone (PubChem CID 162184215) has the molecular formula C26H30N2O6S and a molecular weight of 498.60 g/mol. Its IUPAC name is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone
PubChem CID162184215
Molecular FormulaC26H30N2O6S
Molecular Weight498.60 g/mol
Exact Mass498.18
IUPAC Name[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone
SMILESO=C(c1ccc(-c2cccc(CS(=O)(=O)C3CCOC3)c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1
InChIInChI=1S/C26H30N2O6S/c29-24(27-11-13-28(14-12-27)25(30)26(31)9-10-26)21-6-4-20(5-7-21)22-3-1-2-19(16-22)18-35(32,33)23-8-15-34-17-23/h1-7,16,23,31H,8-15,17-18H2
InChIKeyZPLDSLFAVMGWSH-UHFFFAOYSA-N
XLogP1.87
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[3-(cyclobutylsulfonylmethyl)phenyl]phenyl]-[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]methanone
CID 160911410
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]oxolane-3-sulfonamide
CID 118633907
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275791
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclobutanecarboxamide
CID 118633865
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclohexanecarboxamide
CID 118633902
N-hydroxy-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 139377421
N-[4-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclopropanecarboxamide
CID 118633911
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794
N-hydroxy-N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]cyclobutanecarboxamide
CID 139377302
[4-(3-cyclopropyloxyphenyl)phenyl]-[4-(3-hydroxyoxetane-3-carbonyl)piperazin-1-yl]methanone
CID 118633886
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[1-(oxetan-3-yl)indazol-5-yl]phenyl]methanone
CID 118621625
N-[3-[4-[4-(1-hydroxycyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]phenyl]-1-methoxyethanesulfonamide
CID 152505868

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone?
The IUPAC name of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone (CID 162184215) is [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone.
What is the SMILES notation for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone?
The canonical SMILES for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone is O=C(c1ccc(-c2cccc(CS(=O)(=O)C3CCOC3)c2)cc1)N1CCN(C(=O)C2(O)CC2)CC1.
What is the InChIKey of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone?
The InChIKey is ZPLDSLFAVMGWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6S/c29-24(27-11-13-28(14-12-27)25(30)26(31)9-10-26)21-6-4-20(5-7-21)22-3-1-2-19(16-22)18-35(32,33)23-8-15-34-17-23/h1-7,16,23,31H,8-15,17-18H2.
What are the key properties of [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone?
[4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone has a molecular weight of 498.60 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxycyclopropanecarbonyl)piperazin-1-yl]-[4-[3-(oxolan-3-ylsulfonylmethyl)phenyl]phenyl]methanone is sourced from PubChem (CID 162184215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).