1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone

C25H30N2O4S — CID 55888653

IUPAC1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3c3ccccc3C)CC2)cc1
InChIInChI=1S/C25H30N2O4S/c1-18-6-3-4-7-23(18)24-8-5-15-27(24)25(29)21-13-16-26(17-14-21)32(30,31)22-11-9-20(10-12-22)19(2)28/h3-4,6-7,9-12,21,24H,5,8,13-17H2,1-2H3
InChIKeyGPFPMZWMPZAOEO-UHFFFAOYSA-N
MW454.59 g/mol
LogP3.96
Rot. Bonds5

About 1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone

1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 55888653) has the molecular formula C25H30N2O4S and a molecular weight of 454.59 g/mol. Its IUPAC name is 1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone
PubChem CID55888653
Molecular FormulaC25H30N2O4S
Molecular Weight454.59 g/mol
Exact Mass454.19
IUPAC Name1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3c3ccccc3C)CC2)cc1
InChIInChI=1S/C25H30N2O4S/c1-18-6-3-4-7-23(18)24-8-5-15-27(24)25(29)21-13-16-26(17-14-21)32(30,31)22-11-9-20(10-12-22)19(2)28/h3-4,6-7,9-12,21,24H,5,8,13-17H2,1-2H3
InChIKeyGPFPMZWMPZAOEO-UHFFFAOYSA-N
XLogP3.96
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone 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

[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 41293701
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 17498465
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25498568
[1-(benzenesulfonyl)piperidin-4-yl]-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25498564
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1190400
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
1-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 55889163
1-[4-[4-(2-cyclohexyliminopyridine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 134035839
[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 93071671
(2S)-2-(2-methylphenyl)-N-phenylpyrrolidine-1-carboxamide
CID 51856075
1-[4-[4-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 42946806
[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 41293895

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone (CID 55888653) is 1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3c3ccccc3C)CC2)cc1.
What is the InChIKey of 1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is GPFPMZWMPZAOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4S/c1-18-6-3-4-7-23(18)24-8-5-15-27(24)25(29)21-13-16-26(17-14-21)32(30,31)22-11-9-20(10-12-22)19(2)28/h3-4,6-7,9-12,21,24H,5,8,13-17H2,1-2H3.
What are the key properties of 1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone?
1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 454.59 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 55888653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).