[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone

C15H22N2O3S — CID 90589965

IUPAC[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C15H22N2O3S/c1-12(2)11-21(19,20)13-6-9-17(10-7-13)15(18)14-5-3-4-8-16-14/h3-5,8,12-13H,6-7,9-11H2,1-2H3
InChIKeyMPOYZPVKANNZET-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.76
Rot. Bonds4

About [4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone

[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 90589965) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is [4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID90589965
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C15H22N2O3S/c1-12(2)11-21(19,20)13-6-9-17(10-7-13)15(18)14-5-3-4-8-16-14/h3-5,8,12-13H,6-7,9-11H2,1-2H3
InChIKeyMPOYZPVKANNZET-UHFFFAOYSA-N
XLogP1.76
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxy-3-pyridinyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590146
[4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 146149234
(2-fluorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90589973
N-methyl-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 86983172
(3,4-dichlorophenyl)-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590179
[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 164836489
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
[4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 128509588
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
(E)-1-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 90589981
[4-(4-fluorophenyl)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590069
[3-(dimethylamino)phenyl]-[4-(2-methylpropylsulfonyl)piperidin-1-yl]methanone
CID 90590000

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone (CID 90589965) is [4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone is CC(C)CS(=O)(=O)C1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of [4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is MPOYZPVKANNZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-12(2)11-21(19,20)13-6-9-17(10-7-13)15(18)14-5-3-4-8-16-14/h3-5,8,12-13H,6-7,9-11H2,1-2H3.
What are the key properties of [4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone?
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 310.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 90589965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).