(2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone

C18H25ClN2O4S — CID 91916339

IUPAC(2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C18H25ClN2O4S/c1-26(23,24)21-12-8-15(9-13-21)25-14-6-10-20(11-7-14)18(22)16-4-2-3-5-17(16)19/h2-5,14-15H,6-13H2,1H3
InChIKeyDOMWFPKCVXLPRW-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.39
Rot. Bonds4

About (2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone

(2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 91916339) has the molecular formula C18H25ClN2O4S and a molecular weight of 400.93 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID91916339
Molecular FormulaC18H25ClN2O4S
Molecular Weight400.93 g/mol
Exact Mass400.12
IUPAC Name(2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCS(=O)(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C18H25ClN2O4S/c1-26(23,24)21-12-8-15(9-13-21)25-14-6-10-20(11-7-14)18(22)16-4-2-3-5-17(16)19/h2-5,14-15H,6-13H2,1H3
InChIKeyDOMWFPKCVXLPRW-UHFFFAOYSA-N
XLogP2.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]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

(4-methoxyphenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916336
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91906267
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
(2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone
CID 42947009
(1-methylimidazol-4-yl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916386
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone
CID 72870356
1-methylsulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 43040978
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560
(2-aminophenyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone
CID 119945352
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone (CID 91916339) is (2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone is CS(=O)(=O)N1CCC(OC2CCN(C(=O)c3ccccc3Cl)CC2)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is DOMWFPKCVXLPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4S/c1-26(23,24)21-12-8-15(9-13-21)25-14-6-10-20(11-7-14)18(22)16-4-2-3-5-17(16)19/h2-5,14-15H,6-13H2,1H3.
What are the key properties of (2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone?
(2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 400.93 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91916339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).