N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

C24H30FN3O3S — CID 27673196

IUPACN-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H30FN3O3S/c25-21-6-8-23(9-7-21)32(30,31)28-16-10-20(11-17-28)24(29)26-22-12-14-27(15-13-22)18-19-4-2-1-3-5-19/h1-9,20,22H,10-18H2,(H,26,29)
InChIKeyUOCYFSYLHYLXCB-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.01
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 27673196) has the molecular formula C24H30FN3O3S and a molecular weight of 459.59 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID27673196
Molecular FormulaC24H30FN3O3S
Molecular Weight459.59 g/mol
Exact Mass459.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H30FN3O3S/c25-21-6-8-23(9-7-21)32(30,31)28-16-10-20(11-17-28)24(29)26-22-12-14-27(15-13-22)18-19-4-2-1-3-5-19/h1-9,20,22H,10-18H2,(H,26,29)
InChIKeyUOCYFSYLHYLXCB-UHFFFAOYSA-N
XLogP3.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55960055
1-(2,5-difluorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55960697
N-(1-benzylpiperidin-4-yl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2161690
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
(2R)-N-[(3S)-1-benzylpyrrolidin-3-yl]-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 124783228
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
1-(4-fluorophenyl)sulfonyl-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 55859239
(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 92633582
N-(1-benzylpiperidin-4-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 55556316
N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 7809293

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide (CID 27673196) is N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is UOCYFSYLHYLXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O3S/c25-21-6-8-23(9-7-21)32(30,31)28-16-10-20(11-17-28)24(29)26-22-12-14-27(15-13-22)18-19-4-2-1-3-5-19/h1-9,20,22H,10-18H2,(H,26,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 27673196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).