(2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one

C20H28N2O4S — CID 92603244

IUPAC(2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one
SMILESCS(=O)(=O)c1cccnc1C1CCN(C(=O)CC[C@H]2CCCCC2=O)CC1
InChIInChI=1S/C20H28N2O4S/c1-27(25,26)18-7-4-12-21-20(18)16-10-13-22(14-11-16)19(24)9-8-15-5-2-3-6-17(15)23/h4,7,12,15-16H,2-3,5-6,8-11,13-14H2,1H3/t15-/m1/s1
InChIKeySHAVOHMZJRLCDA-OAHLLOKOSA-N
MW392.52 g/mol
LogP2.73
Rot. Bonds5

About (2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one

(2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one (PubChem CID 92603244) has the molecular formula C20H28N2O4S and a molecular weight of 392.52 g/mol. Its IUPAC name is (2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one.

Molecular Properties

Compound Name(2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one
PubChem CID92603244
Molecular FormulaC20H28N2O4S
Molecular Weight392.52 g/mol
Exact Mass392.18
IUPAC Name(2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one
SMILESCS(=O)(=O)c1cccnc1C1CCN(C(=O)CC[C@H]2CCCCC2=O)CC1
InChIInChI=1S/C20H28N2O4S/c1-27(25,26)18-7-4-12-21-20(18)16-10-13-22(14-11-16)19(24)9-8-15-5-2-3-6-17(15)23/h4,7,12,15-16H,2-3,5-6,8-11,13-14H2,1H3/t15-/m1/s1
InChIKeySHAVOHMZJRLCDA-OAHLLOKOSA-N
XLogP2.73
TPSA84.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one with MolForge

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Related Compounds

2-[3-[4-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one
CID 110221471
2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one
CID 14393613
isoquinolin-1-yl-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
CID 92603256
1-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)butan-1-one
CID 110221467
cyclopropyl-[(3R)-3-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95853849
1-(2-methoxyethyl)-4-[4-(3-methylsulfonyl-2-pyridinyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 46954952
3-methylsulfonyl-2-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 92603225
(2R)-2-[3-oxo-3-[4-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]propyl]cyclohexan-1-one
CID 92567739
3-cyclohexyl-1-[4-(2-methylsulfonylbenzoyl)piperazin-1-yl]propan-1-one
CID 60538780
2-[3-[4-[(2R)-15-bromo-13-chloro-6-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one
CID 163885402
4-[3-[[(4-methylsulfonylphenyl)methylamino]methyl]-2-pyridinyl]piperidine-1-carboxylic acid
CID 67075253
2-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 110234267

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one?
The IUPAC name of (2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one (CID 92603244) is (2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one.
What is the SMILES notation for (2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one?
The canonical SMILES for (2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one is CS(=O)(=O)c1cccnc1C1CCN(C(=O)CC[C@H]2CCCCC2=O)CC1.
What is the InChIKey of (2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one?
The InChIKey is SHAVOHMZJRLCDA-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N2O4S/c1-27(25,26)18-7-4-12-21-20(18)16-10-13-22(14-11-16)19(24)9-8-15-5-2-3-6-17(15)23/h4,7,12,15-16H,2-3,5-6,8-11,13-14H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one?
(2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one has a molecular weight of 392.52 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-[4-(3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]cyclohexan-1-one is sourced from PubChem (CID 92603244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).