1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride

C27H28Cl2F3N3O5S — CID 159253867

IUPAC1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cn3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C27H26F3N3O5S.2ClH/c28-27(29,30)38-22-8-1-18(2-9-22)20-5-12-24(31-17-20)19-3-10-23(11-4-19)39(36,37)26(25(34)32-35)13-15-33(16-14-26)21-6-7-21;;/h1-5,8-12,17,21,35H,6-7,13-16H2,(H,32,34);2*1H
InChIKeyCSKAMTZONSBMDK-UHFFFAOYSA-N
MW634.50 g/mol
LogP5.43
Rot. Bonds7

About 1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride

1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 159253867) has the molecular formula C27H28Cl2F3N3O5S and a molecular weight of 634.50 g/mol. Its IUPAC name is 1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride
PubChem CID159253867
Molecular FormulaC27H28Cl2F3N3O5S
Molecular Weight634.50 g/mol
Exact Mass633.11
IUPAC Name1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cn3)cc2)CCN(C2CC2)CC1
InChIInChI=1S/C27H26F3N3O5S.2ClH/c28-27(29,30)38-22-8-1-18(2-9-22)20-5-12-24(31-17-20)19-3-10-23(11-4-19)39(36,37)26(25(34)32-35)13-15-33(16-14-26)21-6-7-21;;/h1-5,8-12,17,21,35H,6-7,13-16H2,(H,32,34);2*1H
InChIKeyCSKAMTZONSBMDK-UHFFFAOYSA-N
XLogP5.43
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.50
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 10120093
N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 10280852
1-(4-(pyridin-2-yl)benzyl)-N-hydroxy-4-(4-methoxyphenylsulfonyl)piperidine-4-carboxamide
CID 10277568
N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 9807174
N-hydroxy-1-(pyridin-4-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 9808158
N-hydroxy-1-(pyridin-4-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 9808159
N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
CID 9871829
N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 9894315
N-hydroxy-1-(pyridin-4-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride
CID 10121633
N-hydroxy-1-(pyridin-3-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride
CID 10282362
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10390777
N-hydroxy-1-(pyridin-2-ylmethyl)-4-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride
CID 17978438

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride (CID 159253867) is 1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NO)C1(S(=O)(=O)c2ccc(-c3ccc(-c4ccc(OC(F)(F)F)cc4)cn3)cc2)CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is CSKAMTZONSBMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N3O5S.2ClH/c28-27(29,30)38-22-8-1-18(2-9-22)20-5-12-24(31-17-20)19-3-10-23(11-4-19)39(36,37)26(25(34)32-35)13-15-33(16-14-26)21-6-7-21;;/h1-5,8-12,17,21,35H,6-7,13-16H2,(H,32,34);2*1H.
What are the key properties of 1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride?
1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 634.50 g/mol, XLogP of 5.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-hydroxy-4-[4-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 159253867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).