(4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone

C18H26N2O3S — CID 136553816

IUPAC(4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone
SMILESCCS(=O)(=O)C1CCN(C(=O)c2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C18H26N2O3S/c1-2-24(22,23)17-8-12-20(13-9-17)18(21)15-6-5-7-16(14-15)19-10-3-4-11-19/h5-7,14,17H,2-4,8-13H2,1H3
InChIKeyKKSFGGSPSBUPMM-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.33
Rot. Bonds4

About (4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone

(4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone (PubChem CID 136553816) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is (4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone
PubChem CID136553816
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name(4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone
SMILESCCS(=O)(=O)C1CCN(C(=O)c2cccc(N3CCCC3)c2)CC1
InChIInChI=1S/C18H26N2O3S/c1-2-24(22,23)17-8-12-20(13-9-17)18(21)15-6-5-7-16(14-15)19-10-3-4-11-19/h5-7,14,17H,2-4,8-13H2,1H3
InChIKeyKKSFGGSPSBUPMM-UHFFFAOYSA-N
XLogP2.33
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)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

2-(2-methylcyclopropyl)-1-[4-(3-pyrrolidin-1-ylbenzoyl)piperazin-1-yl]ethanone
CID 167812342
(3-methylphenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078901
(3-piperazin-1-ylphenyl)-piperidin-1-ylmethanone
CID 28748938
1-(3-piperidin-1-ylphenyl)propan-1-one;hydrochloride
CID 21114970
N-methyl-2-[1-(3-methylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592749
2-[1-(3-iodobenzoyl)piperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592768
[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590000
[4-(3-methylphenyl)piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295146
[4-(1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl)piperidin-1-yl]-(3-pyrrolidin-1-ylphenyl)methanone
CID 110220177
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(3-fluorophenyl)-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113078904

Frequently Asked Questions

What is the IUPAC name of (4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone?
The IUPAC name of (4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone (CID 136553816) is (4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone.
What is the SMILES notation for (4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone?
The canonical SMILES for (4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone is CCS(=O)(=O)C1CCN(C(=O)c2cccc(N3CCCC3)c2)CC1.
What is the InChIKey of (4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone?
The InChIKey is KKSFGGSPSBUPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-2-24(22,23)17-8-12-20(13-9-17)18(21)15-6-5-7-16(14-15)19-10-3-4-11-19/h5-7,14,17H,2-4,8-13H2,1H3.
What are the key properties of (4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone?
(4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone has a molecular weight of 350.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylsulfonylpiperidin-1-yl)-(3-pyrrolidin-1-ylphenyl)methanone is sourced from PubChem (CID 136553816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).