[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone

C18H25ClN2O4S — CID 55501337

IUPAC[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(CCS(=O)(=O)c2ccc(Cl)cc2)C1)N1CCOCC1
InChIInChI=1S/C18H25ClN2O4S/c19-16-3-5-17(6-4-16)26(23,24)13-10-20-7-1-2-15(14-20)18(22)21-8-11-25-12-9-21/h3-6,15H,1-2,7-14H2
InChIKeyIKRLXZJZTJGDLO-UHFFFAOYSA-N
MW400.93 g/mol
LogP1.68
Rot. Bonds5

About [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 55501337) has the molecular formula C18H25ClN2O4S and a molecular weight of 400.93 g/mol. Its IUPAC name is [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID55501337
Molecular FormulaC18H25ClN2O4S
Molecular Weight400.93 g/mol
Exact Mass400.12
IUPAC Name[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(CCS(=O)(=O)c2ccc(Cl)cc2)C1)N1CCOCC1
InChIInChI=1S/C18H25ClN2O4S/c19-16-3-5-17(6-4-16)26(23,24)13-10-20-7-1-2-15(14-20)18(22)21-8-11-25-12-9-21/h3-6,15H,1-2,7-14H2
InChIKeyIKRLXZJZTJGDLO-UHFFFAOYSA-N
XLogP1.68
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone 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

(3R)-1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 39894569
1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-ol
CID 42913567
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
morpholin-4-yl-[(3S)-1-(3-pyridin-4-ylpropyl)piperidin-3-yl]methanone
CID 97352804
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464
[(3S)-1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 41305841
[1-[(4-bromophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918722
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 43918724
(3S)-1-[2-(4-bromophenyl)sulfonylethyl]piperidine-3-carboxamide
CID 9305070
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
[1-(3,5-dichlorophenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 24604852
[(3R)-1-decylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 125473797

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 55501337) is [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CCCN(CCS(=O)(=O)c2ccc(Cl)cc2)C1)N1CCOCC1.
What is the InChIKey of [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is IKRLXZJZTJGDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4S/c19-16-3-5-17(6-4-16)26(23,24)13-10-20-7-1-2-15(14-20)18(22)21-8-11-25-12-9-21/h3-6,15H,1-2,7-14H2.
What are the key properties of [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 400.93 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 55501337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).