1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide

C24H28F3N3O4S — CID 10481475

IUPAC1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C24H28F3N3O4S/c25-24(26,27)11-1-2-17-3-10-21(28-16-17)18-4-8-20(9-5-18)35(33,34)23(22(31)29-32)12-14-30(15-13-23)19-6-7-19/h3-5,8-10,16,19,32H,1-2,6-7,11-15H2,(H,29,31)
InChIKeyDIBFNKHUBJDQFR-UHFFFAOYSA-N
MW511.57 g/mol
LogP3.91
Rot. Bonds8

About 1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide

1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 10481475) has the molecular formula C24H28F3N3O4S and a molecular weight of 511.57 g/mol. Its IUPAC name is 1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
PubChem CID10481475
Molecular FormulaC24H28F3N3O4S
Molecular Weight511.57 g/mol
Exact Mass511.18
IUPAC Name1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C24H28F3N3O4S/c25-24(26,27)11-1-2-17-3-10-21(28-16-17)18-4-8-20(9-5-18)35(33,34)23(22(31)29-32)12-14-30(15-13-23)19-6-7-19/h3-5,8-10,16,19,32H,1-2,6-7,11-15H2,(H,29,31)
InChIKeyDIBFNKHUBJDQFR-UHFFFAOYSA-N
XLogP3.91
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.57
LogP ≤ 53.91
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-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide (CID 10481475) is 1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide is O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is DIBFNKHUBJDQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O4S/c25-24(26,27)11-1-2-17-3-10-21(28-16-17)18-4-8-20(9-5-18)35(33,34)23(22(31)29-32)12-14-30(15-13-23)19-6-7-19/h3-5,8-10,16,19,32H,1-2,6-7,11-15H2,(H,29,31).
What are the key properties of 1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide?
1-cyclopropyl-N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 511.57 g/mol, XLogP of 3.91, 8 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-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10481475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).