1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide

C22H31F5N4O4S — CID 10076013

IUPAC1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CC1
InChIInChI=1S/C22H31F5N4O4S/c1-2-30-13-9-20(10-14-30,19(32)29-33)36(34,35)31-11-6-17(7-12-31)18-4-3-16(15-28-18)5-8-21(23,24)22(25,26)27/h3-4,15,17,33H,2,5-14H2,1H3,(H,29,32)
InChIKeyZRZZPWHVDMKTBO-UHFFFAOYSA-N
MW542.57 g/mol
LogP3.08
Rot. Bonds8

About 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide

1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 10076013) has the molecular formula C22H31F5N4O4S and a molecular weight of 542.57 g/mol. Its IUPAC name is 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
PubChem CID10076013
Molecular FormulaC22H31F5N4O4S
Molecular Weight542.57 g/mol
Exact Mass542.20
IUPAC Name1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CC1
InChIInChI=1S/C22H31F5N4O4S/c1-2-30-13-9-20(10-14-30,19(32)29-33)36(34,35)31-11-6-17(7-12-31)18-4-3-16(15-28-18)5-8-21(23,24)22(25,26)27/h3-4,15,17,33H,2,5-14H2,1H3,(H,29,32)
InChIKeyZRZZPWHVDMKTBO-UHFFFAOYSA-N
XLogP3.08
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.57
LogP ≤ 53.08
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 57325771
N-benzyl-N-ethyl-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidine-4-carboxamide
CID 71737616
N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 126474933
N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylcyclopent-3-ene-1-carboxamide
CID 9983334
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CID 9984336
N-hydroxy-4-methoxy-2-(2-methoxyethyl)-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylbutanamide
CID 9985290
4-[4-[5-(3-fluorophenyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10004596
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10005329
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-1-phenylpiperidine-4-carboxamide
CID 10008575
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-1-pyridin-3-ylpiperidine-4-carboxamide
CID 10008591
4-[4-[5-(3,3-difluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10027315

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide (CID 10076013) is 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide is CCN1CCC(C(=O)NO)(S(=O)(=O)N2CCC(c3ccc(CCC(F)(F)C(F)(F)F)cn3)CC2)CC1.
What is the InChIKey of 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is ZRZZPWHVDMKTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31F5N4O4S/c1-2-30-13-9-20(10-14-30,19(32)29-33)36(34,35)31-11-6-17(7-12-31)18-4-3-16(15-28-18)5-8-21(23,24)22(25,26)27/h3-4,15,17,33H,2,5-14H2,1H3,(H,29,32).
What are the key properties of 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide?
1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 542.57 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 10076013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).