[4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone

C20H21F2NO4S — CID 84563464

IUPAC[4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
SMILESCS(=O)(=O)Cc1ccc(C(=O)N2CCC(Oc3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C20H21F2NO4S/c1-28(25,26)13-14-2-4-15(5-3-14)20(24)23-10-8-16(9-11-23)27-17-6-7-18(21)19(22)12-17/h2-7,12,16H,8-11,13H2,1H3
InChIKeyTUTFCTIGJOKUGY-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.19
Rot. Bonds5

About [4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone

[4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone (PubChem CID 84563464) has the molecular formula C20H21F2NO4S and a molecular weight of 409.45 g/mol. Its IUPAC name is [4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
PubChem CID84563464
Molecular FormulaC20H21F2NO4S
Molecular Weight409.45 g/mol
Exact Mass409.12
IUPAC Name[4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
SMILESCS(=O)(=O)Cc1ccc(C(=O)N2CCC(Oc3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C20H21F2NO4S/c1-28(25,26)13-14-2-4-15(5-3-14)20(24)23-10-8-16(9-11-23)27-17-6-7-18(21)19(22)12-17/h2-7,12,16H,8-11,13H2,1H3
InChIKeyTUTFCTIGJOKUGY-UHFFFAOYSA-N
XLogP3.19
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 84561758
[4-(methylsulfonylmethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 39580416
(3,4-difluorophenyl)-(4-thiophen-3-yloxypiperidin-1-yl)methanone
CID 122246206
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
2-[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]acetonitrile
CID 166281533
[4-(3,4-difluorophenoxy)piperidin-1-yl]-piperazin-1-ylmethanone
CID 143176326
[4-(4-chlorophenoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 67170363
(4-aminopiperidin-1-yl)-[4-(3,4-difluorophenoxy)phenyl]methanone;hydrochloride
CID 119374818
[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea
CID 119133486

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone?
The IUPAC name of [4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone (CID 84563464) is [4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for [4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for [4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone is CS(=O)(=O)Cc1ccc(C(=O)N2CCC(Oc3ccc(F)c(F)c3)CC2)cc1.
What is the InChIKey of [4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone?
The InChIKey is TUTFCTIGJOKUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO4S/c1-28(25,26)13-14-2-4-15(5-3-14)20(24)23-10-8-16(9-11-23)27-17-6-7-18(21)19(22)12-17/h2-7,12,16H,8-11,13H2,1H3.
What are the key properties of [4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone?
[4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone has a molecular weight of 409.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-difluorophenoxy)piperidin-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 84563464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).