1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide

C29H35N5O5S — CID 20735232

IUPAC1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(-c2noc(C3CCN(c4ccc(S(=O)(=O)C5(C(=O)NO)CCN(C6CC6)CC5)cc4)CC3)n2)cc1
InChIInChI=1S/C29H35N5O5S/c1-20-2-4-21(5-3-20)26-30-27(39-32-26)22-12-16-33(17-13-22)24-8-10-25(11-9-24)40(37,38)29(28(35)31-36)14-18-34(19-15-29)23-6-7-23/h2-5,8-11,22-23,36H,6-7,12-19H2,1H3,(H,31,35)
InChIKeyIZOIMXXQNTUZAN-UHFFFAOYSA-N
MW565.70 g/mol
LogP3.71
Rot. Bonds7

About 1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide

1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 20735232) has the molecular formula C29H35N5O5S and a molecular weight of 565.70 g/mol. Its IUPAC name is 1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID20735232
Molecular FormulaC29H35N5O5S
Molecular Weight565.70 g/mol
Exact Mass565.24
IUPAC Name1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(-c2noc(C3CCN(c4ccc(S(=O)(=O)C5(C(=O)NO)CCN(C6CC6)CC5)cc4)CC3)n2)cc1
InChIInChI=1S/C29H35N5O5S/c1-20-2-4-21(5-3-20)26-30-27(39-32-26)22-12-16-33(17-13-22)24-8-10-25(11-9-24)40(37,38)29(28(35)31-36)14-18-34(19-15-29)23-6-7-23/h2-5,8-11,22-23,36H,6-7,12-19H2,1H3,(H,31,35)
InChIKeyIZOIMXXQNTUZAN-UHFFFAOYSA-N
XLogP3.71
TPSA128.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.70
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 812457
(3-methyl-1,2-oxazol-5-yl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 91946404
N-[(2R)-1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-oxopropan-2-yl]-4-methylbenzenesulfonamide
CID 95063527
(3,5-dimethylphenyl)-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 53051382
1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 53051421
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 3590042
4-[4-[4-(2,4-dimethoxyphenyl)piperidin-1-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 46891358
1-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2,2-diphenylethanone
CID 42760384
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
1-[4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]phenyl]ethanone
CID 158231096
N-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827829
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide (CID 20735232) is 1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide is Cc1ccc(-c2noc(C3CCN(c4ccc(S(=O)(=O)C5(C(=O)NO)CCN(C6CC6)CC5)cc4)CC3)n2)cc1.
What is the InChIKey of 1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is IZOIMXXQNTUZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O5S/c1-20-2-4-21(5-3-20)26-30-27(39-32-26)22-12-16-33(17-13-22)24-8-10-25(11-9-24)40(37,38)29(28(35)31-36)14-18-34(19-15-29)23-6-7-23/h2-5,8-11,22-23,36H,6-7,12-19H2,1H3,(H,31,35).
What are the key properties of 1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide?
1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 565.70 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-hydroxy-4-[4-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 20735232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).