4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine

C24H30N4O2S — CID 95814484

IUPAC4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine
SMILESCCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c(C)n1
InChIInChI=1S/C24H30N4O2S/c1-4-27-17-24(19(3)26-27)31(29,30)28-12-8-11-22(16-28)23-15-21(13-18(2)25-23)14-20-9-6-5-7-10-20/h5-7,9-10,13,15,17,22H,4,8,11-12,14,16H2,1-3H3/t22-/m1/s1
InChIKeyDKLVQSDXCWJYLV-JOCHJYFZSA-N
MW438.60 g/mol
LogP4.07
Rot. Bonds6

About 4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine

4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine (PubChem CID 95814484) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is 4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine.

Molecular Properties

Compound Name4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine
PubChem CID95814484
Molecular FormulaC24H30N4O2S
Molecular Weight438.60 g/mol
Exact Mass438.21
IUPAC Name4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine
SMILESCCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c(C)n1
InChIInChI=1S/C24H30N4O2S/c1-4-27-17-24(19(3)26-27)31(29,30)28-12-8-11-22(16-28)23-15-21(13-18(2)25-23)14-20-9-6-5-7-10-20/h5-7,9-10,13,15,17,22H,4,8,11-12,14,16H2,1-3H3/t22-/m1/s1
InChIKeyDKLVQSDXCWJYLV-JOCHJYFZSA-N
XLogP4.07
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.60
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-1-(benzenesulfonyl)pyrrolidin-3-yl]-4-benzyl-6-methylpyridine
CID 95834680
2-[(2S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-6-methyl-4-[(3-methylphenyl)methyl]pyridine
CID 92617232
3-(4-benzyl-6-methyl-2-pyridinyl)-N,N-diethylpyrrolidine-1-sulfonamide
CID 110264875
N-[6-[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-3-pyridinyl]-6-methylpyridin-2-amine
CID 110252348
2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine
CID 95814383
[3-(4-benzyl-6-methyl-2-pyridinyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 110253819
2-[(4-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810510
(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
CID 7026078
[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 19583408
2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810507
1-benzhydryl-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine
CID 19682701
[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19583677

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine?
The IUPAC name of 4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine (CID 95814484) is 4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine.
What is the SMILES notation for 4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine?
The canonical SMILES for 4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine is CCn1cc(S(=O)(=O)N2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c(C)n1.
What is the InChIKey of 4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine?
The InChIKey is DKLVQSDXCWJYLV-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-4-27-17-24(19(3)26-27)31(29,30)28-12-8-11-22(16-28)23-15-21(13-18(2)25-23)14-20-9-6-5-7-10-20/h5-7,9-10,13,15,17,22H,4,8,11-12,14,16H2,1-3H3/t22-/m1/s1.
What are the key properties of 4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine?
4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine has a molecular weight of 438.60 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine is sourced from PubChem (CID 95814484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).