[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone

C24H29FN2O4S — CID 55803651

IUPAC[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCc1cccc(C)c1OC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C24H29FN2O4S/c1-17-6-5-7-18(2)23(17)31-20-10-14-26(15-11-20)24(28)19-8-9-21(25)22(16-19)32(29,30)27-12-3-4-13-27/h5-9,16,20H,3-4,10-15H2,1-2H3
InChIKeyHYGQXSMODBFYMJ-UHFFFAOYSA-N
MW460.57 g/mol
LogP3.91
Rot. Bonds5

About [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone

[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 55803651) has the molecular formula C24H29FN2O4S and a molecular weight of 460.57 g/mol. Its IUPAC name is [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID55803651
Molecular FormulaC24H29FN2O4S
Molecular Weight460.57 g/mol
Exact Mass460.18
IUPAC Name[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCc1cccc(C)c1OC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C24H29FN2O4S/c1-17-6-5-7-18(2)23(17)31-20-10-14-26(15-11-20)24(28)19-8-9-21(25)22(16-19)32(29,30)27-12-3-4-13-27/h5-9,16,20H,3-4,10-15H2,1-2H3
InChIKeyHYGQXSMODBFYMJ-UHFFFAOYSA-N
XLogP3.91
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.57
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone with MolForge

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Related Compounds

(3,4-difluorophenyl)-[4-(4-fluoro-3-pyrrolidin-1-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 55599727
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 45426942
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 119563638
N-butyl-1-(4-fluoro-3-piperidin-1-ylsulfonylbenzoyl)-N-methylpiperidine-4-carboxamide
CID 55836283
(2-ethylpiperidin-1-yl)-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 51147915
cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 55335058
(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971225
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353985
(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2390804
[4-(2,4-difluorophenoxy)piperidin-1-yl]-(5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-yl)methanone
CID 112836234
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 55803651) is [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone is Cc1cccc(C)c1OC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1.
What is the InChIKey of [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is HYGQXSMODBFYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4S/c1-17-6-5-7-18(2)23(17)31-20-10-14-26(15-11-20)24(28)19-8-9-21(25)22(16-19)32(29,30)27-12-3-4-13-27/h5-9,16,20H,3-4,10-15H2,1-2H3.
What are the key properties of [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 460.57 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethylphenoxy)piperidin-1-yl]-(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 55803651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).