(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone

C15H21NO4S — CID 110736037

IUPAC(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C15H21NO4S/c1-20-14-6-4-3-5-13(14)15(17)16-9-7-12(8-10-16)11-21(2,18)19/h3-6,12H,7-11H2,1-2H3
InChIKeyGBRNVENYKZSTCM-UHFFFAOYSA-N
MW311.40 g/mol
LogP1.59
Rot. Bonds4

About (2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone

(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone (PubChem CID 110736037) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
PubChem CID110736037
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Name(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC(CS(C)(=O)=O)CC1
InChIInChI=1S/C15H21NO4S/c1-20-14-6-4-3-5-13(14)15(17)16-9-7-12(8-10-16)11-21(2,18)19/h3-6,12H,7-11H2,1-2H3
InChIKeyGBRNVENYKZSTCM-UHFFFAOYSA-N
XLogP1.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
(2-methoxyphenyl)-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 24720426
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
(2-methoxyphenyl)-[4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidin-1-yl]methanone
CID 71800834
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 90493290
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
N-[1-(2-methoxybenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563568
[4-(4-hydroxyphenyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 51327321
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone (CID 110736037) is (2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCC(CS(C)(=O)=O)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
The InChIKey is GBRNVENYKZSTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-20-14-6-4-3-5-13(14)15(17)16-9-7-12(8-10-16)11-21(2,18)19/h3-6,12H,7-11H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone?
(2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone has a molecular weight of 311.40 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110736037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).