(3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one

C23H31FN4O4S — CID 160656139

IUPAC(3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one
SMILESCC(C)c1noc(N2CCC(N3CCC[C@H](Cc4ccc(S(C)(=O)=O)cc4F)C3=O)CC2)n1
InChIInChI=1S/C23H31FN4O4S/c1-15(2)21-25-23(32-26-21)27-11-8-18(9-12-27)28-10-4-5-17(22(28)29)13-16-6-7-19(14-20(16)24)33(3,30)31/h6-7,14-15,17-18H,4-5,8-13H2,1-3H3/t17-/m1/s1
InChIKeyRLBNUXXHAUUWEP-QGZVFWFLSA-N
MW478.59 g/mol
LogP3.19
Rot. Bonds6

About (3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one

(3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one (PubChem CID 160656139) has the molecular formula C23H31FN4O4S and a molecular weight of 478.59 g/mol. Its IUPAC name is (3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one
PubChem CID160656139
Molecular FormulaC23H31FN4O4S
Molecular Weight478.59 g/mol
Exact Mass478.21
IUPAC Name(3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one
SMILESCC(C)c1noc(N2CCC(N3CCC[C@H](Cc4ccc(S(C)(=O)=O)cc4F)C3=O)CC2)n1
InChIInChI=1S/C23H31FN4O4S/c1-15(2)21-25-23(32-26-21)27-11-8-18(9-12-27)28-10-4-5-17(22(28)29)13-16-6-7-19(14-20(16)24)33(3,30)31/h6-7,14-15,17-18H,4-5,8-13H2,1-3H3/t17-/m1/s1
InChIKeyRLBNUXXHAUUWEP-QGZVFWFLSA-N
XLogP3.19
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one 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

(3S)-1-[1-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 160824445
(3S)-1-[1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 160916154
(3R)-3-[(4-cyclopropylsulfonyl-2-fluorophenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 146925053
(3S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 159400655
5-[4-[4-(2-fluoro-4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 69050486
(3S)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-[3-(2-methoxypropan-2-yl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrrolidin-2-one
CID 158454164
5-[4-[6-(2-fluoro-4-methylsulfonylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59856806
(3S)-1-[1-(5-chloro-3-isocyano-2-pyridinyl)piperidin-4-yl]-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 157445375
5-[4-[4-(4-methylsulfonylphenoxy)pyrazol-1-yl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 69053566
3-(2-fluoro-4-methylsulfonylphenoxy)-1-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 90388879
(3R)-3-[(5-chloro-2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]piperidin-2-one
CID 157349251
(3R)-1-[1-(6-chloropyrazin-2-yl)piperidin-4-yl]-3-[(2,5-difluoro-4-methylsulfonylphenyl)methyl]azepan-2-one;hydrochloride
CID 161456623

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one?
The IUPAC name of (3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one (CID 160656139) is (3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for (3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one?
The canonical SMILES for (3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one is CC(C)c1noc(N2CCC(N3CCC[C@H](Cc4ccc(S(C)(=O)=O)cc4F)C3=O)CC2)n1.
What is the InChIKey of (3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one?
The InChIKey is RLBNUXXHAUUWEP-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H31FN4O4S/c1-15(2)21-25-23(32-26-21)27-11-8-18(9-12-27)28-10-4-5-17(22(28)29)13-16-6-7-19(14-20(16)24)33(3,30)31/h6-7,14-15,17-18H,4-5,8-13H2,1-3H3/t17-/m1/s1.
What are the key properties of (3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one?
(3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one has a molecular weight of 478.59 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-fluoro-4-methylsulfonylphenyl)methyl]-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 160656139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).