(2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone

C18H26ClN3O3S — CID 42947009

IUPAC(2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone
SMILESCC1CC(C)CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)C1
InChIInChI=1S/C18H26ClN3O3S/c1-14-11-15(2)13-22(12-14)26(24,25)21-9-7-20(8-10-21)18(23)16-5-3-4-6-17(16)19/h3-6,14-15H,7-13H2,1-2H3
InChIKeyUJNJDNIMQWFLRW-UHFFFAOYSA-N
MW399.94 g/mol
LogP2.32
Rot. Bonds3

About (2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone

(2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 42947009) has the molecular formula C18H26ClN3O3S and a molecular weight of 399.94 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID42947009
Molecular FormulaC18H26ClN3O3S
Molecular Weight399.94 g/mol
Exact Mass399.14
IUPAC Name(2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone
SMILESCC1CC(C)CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)C1
InChIInChI=1S/C18H26ClN3O3S/c1-14-11-15(2)13-22(12-14)26(24,25)21-9-7-20(8-10-21)18(23)16-5-3-4-6-17(16)19/h3-6,14-15H,7-13H2,1-2H3
InChIKeyUJNJDNIMQWFLRW-UHFFFAOYSA-N
XLogP2.32
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.94
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110798797
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CID 668837
(2-iodophenyl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 38604389
[2-chloro-5-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 42919907
[2-chloro-5-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 30961290
(2-chlorophenyl)-[4-(1-methylsulfonylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916339
N-[2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazine-1-carbonyl]phenyl]methanesulfonamide
CID 55636448
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
(2-chlorophenyl)-[4-[(2-methylphenyl)methylsulfonyl]piperazin-1-yl]methanone
CID 110365481
(2-chlorophenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427998
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone (CID 42947009) is (2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone is CC1CC(C)CN(S(=O)(=O)N2CCN(C(=O)c3ccccc3Cl)CC2)C1.
What is the InChIKey of (2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is UJNJDNIMQWFLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O3S/c1-14-11-15(2)13-22(12-14)26(24,25)21-9-7-20(8-10-21)18(23)16-5-3-4-6-17(16)19/h3-6,14-15H,7-13H2,1-2H3.
What are the key properties of (2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone?
(2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 399.94 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(3,5-dimethylpiperidin-1-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 42947009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).