3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one

C26H33N3O4S — CID 47089753

IUPAC3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCNC(=O)C3c3ccccc3)CC2)c1C
InChIInChI=1S/C26H33N3O4S/c1-17-16-18(2)20(4)24(19(17)3)34(32,33)28-13-10-22(11-14-28)26(31)29-15-12-27-25(30)23(29)21-8-6-5-7-9-21/h5-9,16,22-23H,10-15H2,1-4H3,(H,27,30)
InChIKeyHHYIVRJBBIMRIP-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.02
Rot. Bonds4

About 3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one

3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one (PubChem CID 47089753) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one
PubChem CID47089753
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCNC(=O)C3c3ccccc3)CC2)c1C
InChIInChI=1S/C26H33N3O4S/c1-17-16-18(2)20(4)24(19(17)3)34(32,33)28-13-10-22(11-14-28)26(31)29-15-12-27-25(30)23(29)21-8-6-5-7-9-21/h5-9,16,22-23H,10-15H2,1-4H3,(H,27,30)
InChIKeyHHYIVRJBBIMRIP-UHFFFAOYSA-N
XLogP3.02
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 39580157
cis-(1R,2S)-2-[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125119958
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
[4-(3-methylphenyl)piperazin-1-yl]-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 24542911
[1-(4-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 166345710
(2,6-dimethylmorpholin-4-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 71830284
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 119409749
(3S,4S)-4-hydroxy-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 135107188
[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 41293895
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 17478504
N-[(2-chlorophenyl)methyl]-N-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27773885
4-(cyclohexanecarbonyl)-3-(4-methoxyphenyl)piperazin-2-one
CID 110644909

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one?
The IUPAC name of 3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one (CID 47089753) is 3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one?
The canonical SMILES for 3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N3CCNC(=O)C3c3ccccc3)CC2)c1C.
What is the InChIKey of 3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one?
The InChIKey is HHYIVRJBBIMRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-17-16-18(2)20(4)24(19(17)3)34(32,33)28-13-10-22(11-14-28)26(31)29-15-12-27-25(30)23(29)21-8-6-5-7-9-21/h5-9,16,22-23H,10-15H2,1-4H3,(H,27,30).
What are the key properties of 3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one?
3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one has a molecular weight of 483.63 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 47089753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).