1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide

C22H29FN4O4S — CID 55621991

IUPAC1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide
SMILESCc1nc(C2(NC(=O)C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CCCCCC2)no1
InChIInChI=1S/C22H29FN4O4S/c1-16-24-21(26-31-16)22(12-4-2-3-5-13-22)25-20(28)17-7-6-14-27(15-17)32(29,30)19-10-8-18(23)9-11-19/h8-11,17H,2-7,12-15H2,1H3,(H,25,28)
InChIKeyXAXWZSKCRMGTEW-UHFFFAOYSA-N
MW464.56 g/mol
LogP3.28
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide (PubChem CID 55621991) has the molecular formula C22H29FN4O4S and a molecular weight of 464.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide
PubChem CID55621991
Molecular FormulaC22H29FN4O4S
Molecular Weight464.56 g/mol
Exact Mass464.19
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide
SMILESCc1nc(C2(NC(=O)C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CCCCCC2)no1
InChIInChI=1S/C22H29FN4O4S/c1-16-24-21(26-31-16)22(12-4-2-3-5-13-22)25-20(28)17-7-6-14-27(15-17)32(29,30)19-10-8-18(23)9-11-19/h8-11,17H,2-7,12-15H2,1H3,(H,25,28)
InChIKeyXAXWZSKCRMGTEW-UHFFFAOYSA-N
XLogP3.28
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]cyclopentanecarboxamide
CID 35781179
1-(furan-3-carbonyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]piperidine-3-carboxamide
CID 46568205
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622459
1-benzylsulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-4-carboxamide
CID 55972563
2-bromo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55538923
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86822640
(3S)-N-(1-adamantyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 27650304
1-[5-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120850233
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 55622293

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide (CID 55621991) is 1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide is Cc1nc(C2(NC(=O)C3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CCCCCC2)no1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide?
The InChIKey is XAXWZSKCRMGTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O4S/c1-16-24-21(26-31-16)22(12-4-2-3-5-13-22)25-20(28)17-7-6-14-27(15-17)32(29,30)19-10-8-18(23)9-11-19/h8-11,17H,2-7,12-15H2,1H3,(H,25,28).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide has a molecular weight of 464.56 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]piperidine-3-carboxamide is sourced from PubChem (CID 55621991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).