1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide

C21H28F3N3O5S — CID 22052601

IUPAC1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCN(C2CC2)CC1
InChIInChI=1S/C21H28F3N3O5S/c22-21(23,24)15-1-5-17(6-2-15)32-18-7-11-27(12-8-18)33(30,31)20(19(28)25-29)9-13-26(14-10-20)16-3-4-16/h1-2,5-6,16,18,29H,3-4,7-14H2,(H,25,28)
InChIKeyNACPQOVOSZKPNN-UHFFFAOYSA-N
MW491.53 g/mol
LogP2.38
Rot. Bonds6

About 1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide

1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 22052601) has the molecular formula C21H28F3N3O5S and a molecular weight of 491.53 g/mol. Its IUPAC name is 1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
PubChem CID22052601
Molecular FormulaC21H28F3N3O5S
Molecular Weight491.53 g/mol
Exact Mass491.17
IUPAC Name1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCN(C2CC2)CC1
InChIInChI=1S/C21H28F3N3O5S/c22-21(23,24)15-1-5-17(6-2-15)32-18-7-11-27(12-8-18)33(30,31)20(19(28)25-29)9-13-26(14-10-20)16-3-4-16/h1-2,5-6,16,18,29H,3-4,7-14H2,(H,25,28)
InChIKeyNACPQOVOSZKPNN-UHFFFAOYSA-N
XLogP2.38
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.53
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide (CID 22052601) is 1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cc3)CC2)CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is NACPQOVOSZKPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N3O5S/c22-21(23,24)15-1-5-17(6-2-15)32-18-7-11-27(12-8-18)33(30,31)20(19(28)25-29)9-13-26(14-10-20)16-3-4-16/h1-2,5-6,16,18,29H,3-4,7-14H2,(H,25,28).
What are the key properties of 1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 491.53 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-hydroxy-4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 22052601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).