3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine

C20H22N4O2S — CID 97268302

IUPAC3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1
InChIInChI=1S/C20H22N4O2S/c25-27(26,19-8-2-1-3-9-19)24-12-5-7-18(16-24)20-22-11-13-23(20)15-17-6-4-10-21-14-17/h1-4,6,8-11,13-14,18H,5,7,12,15-16H2/t18-/m1/s1
InChIKeyUTHAGZKEPZELOO-GOSISDBHSA-N
MW382.49 g/mol
LogP2.89
Rot. Bonds5

About 3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine

3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine (PubChem CID 97268302) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
PubChem CID97268302
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1
InChIInChI=1S/C20H22N4O2S/c25-27(26,19-8-2-1-3-9-19)24-12-5-7-18(16-24)20-22-11-13-23(20)15-17-6-4-10-21-14-17/h1-4,6,8-11,13-14,18H,5,7,12,15-16H2/t18-/m1/s1
InChIKeyUTHAGZKEPZELOO-GOSISDBHSA-N
XLogP2.89
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]imidazol-1-yl]methyl]pyridine
CID 72926882
3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 70760109
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815
1-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 96574284
1-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70728894
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140
(3-fluoro-4-pyridinyl)-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97194429
4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97155167
2-(2-ethylimidazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97208620
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 72938457

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of 3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine (CID 97268302) is 3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine is O=S(=O)(c1ccccc1)N1CCC[C@@H](c2nccn2Cc2cccnc2)C1.
What is the InChIKey of 3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine?
The InChIKey is UTHAGZKEPZELOO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N4O2S/c25-27(26,19-8-2-1-3-9-19)24-12-5-7-18(16-24)20-22-11-13-23(20)15-17-6-4-10-21-14-17/h1-4,6,8-11,13-14,18H,5,7,12,15-16H2/t18-/m1/s1.
What are the key properties of 3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine?
3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine has a molecular weight of 382.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 97268302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).