[6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone

C19H25N5O4S — CID 95817675

IUPAC[6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)N4CCOCC4)n3)C2)c1
InChIInChI=1S/C19H25N5O4S/c1-22-13-18(20-14-22)29(26,27)24-7-3-4-15(12-24)16-5-2-6-17(21-16)19(25)23-8-10-28-11-9-23/h2,5-6,13-15H,3-4,7-12H2,1H3/t15-/m0/s1
InChIKeyLCKNZSWEWRRDIO-HNNXBMFYSA-N
MW419.51 g/mol
LogP0.86
Rot. Bonds4

About [6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone

[6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 95817675) has the molecular formula C19H25N5O4S and a molecular weight of 419.51 g/mol. Its IUPAC name is [6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID95817675
Molecular FormulaC19H25N5O4S
Molecular Weight419.51 g/mol
Exact Mass419.16
IUPAC Name[6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)N4CCOCC4)n3)C2)c1
InChIInChI=1S/C19H25N5O4S/c1-22-13-18(20-14-22)29(26,27)24-7-3-4-15(12-24)16-5-2-6-17(21-16)19(25)23-8-10-28-11-9-23/h2,5-6,13-15H,3-4,7-12H2,1H3/t15-/m0/s1
InChIKeyLCKNZSWEWRRDIO-HNNXBMFYSA-N
XLogP0.86
TPSA97.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254342
3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
CID 110249975
2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810657
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249966
2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810668
morpholin-4-yl-[6-[(3S)-1-(1,3-oxazole-5-carbonyl)piperidin-3-yl]-2-pyridinyl]methanone
CID 125013177
5-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-oxazole
CID 110096443
6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124983935
1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 110257171
(3S)-1-(1-methylimidazol-4-yl)sulfonyl-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95824669
5-methyl-4-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
CID 95824666
5-(2-fluorophenyl)-N,N-dimethyl-4-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 92617570

Frequently Asked Questions

What is the IUPAC name of [6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 95817675) is [6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone is Cn1cnc(S(=O)(=O)N2CCC[C@H](c3cccc(C(=O)N4CCOCC4)n3)C2)c1.
What is the InChIKey of [6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is LCKNZSWEWRRDIO-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N5O4S/c1-22-13-18(20-14-22)29(26,27)24-7-3-4-15(12-24)16-5-2-6-17(21-16)19(25)23-8-10-28-11-9-23/h2,5-6,13-15H,3-4,7-12H2,1H3/t15-/m0/s1.
What are the key properties of [6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
[6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 419.51 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 95817675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).