(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone

C16H24N2O4S — CID 90590146

IUPAC(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCC(S(=O)(=O)CC(C)C)CC1
InChIInChI=1S/C16H24N2O4S/c1-12(2)11-23(20,21)13-6-9-18(10-7-13)16(19)14-5-4-8-17-15(14)22-3/h4-5,8,12-13H,6-7,9-11H2,1-3H3
InChIKeyFECTYTFACOEADK-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.77
Rot. Bonds5

About (2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone

(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone (PubChem CID 90590146) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
PubChem CID90590146
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
SMILESCOc1ncccc1C(=O)N1CCC(S(=O)(=O)CC(C)C)CC1
InChIInChI=1S/C16H24N2O4S/c1-12(2)11-23(20,21)13-6-9-18(10-7-13)16(19)14-5-4-8-17-15(14)22-3/h4-5,8,12-13H,6-7,9-11H2,1-3H3
InChIKeyFECTYTFACOEADK-UHFFFAOYSA-N
XLogP1.77
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 90589965
(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589973
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90590184
4-(2-methoxypyridine-3-carbonyl)piperazine-1-sulfonamide
CID 62876001
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56811767
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 63337490
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 62317950
(4-amino-3-ethylpiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 81458525
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
[3-(2-chloroethyl)pyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114801254

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone (CID 90590146) is (2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone is COc1ncccc1C(=O)N1CCC(S(=O)(=O)CC(C)C)CC1.
What is the InChIKey of (2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
The InChIKey is FECTYTFACOEADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-12(2)11-23(20,21)13-6-9-18(10-7-13)16(19)14-5-4-8-17-15(14)22-3/h4-5,8,12-13H,6-7,9-11H2,1-3H3.
What are the key properties of (2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone?
(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone has a molecular weight of 340.45 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 90590146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).