[(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H28N6O3S — CID 95073364

IUPAC[(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C2)c1
InChIInChI=1S/C20H28N6O3S/c1-2-23-15-19(22-16-23)30(28,29)26-9-5-6-17(14-26)20(27)25-12-10-24(11-13-25)18-7-3-4-8-21-18/h3-4,7-8,15-17H,2,5-6,9-14H2,1H3/t17-/m1/s1
InChIKeyNCXBEFXACGKBIG-QGZVFWFLSA-N
MW432.55 g/mol
LogP1.05
Rot. Bonds5

About [(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 95073364) has the molecular formula C20H28N6O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is [(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID95073364
Molecular FormulaC20H28N6O3S
Molecular Weight432.55 g/mol
Exact Mass432.19
IUPAC Name[(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C2)c1
InChIInChI=1S/C20H28N6O3S/c1-2-23-15-19(22-16-23)30(28,29)26-9-5-6-17(14-26)20(27)25-12-10-24(11-13-25)18-7-3-4-8-21-18/h3-4,7-8,15-17H,2,5-6,9-14H2,1H3/t17-/m1/s1
InChIKeyNCXBEFXACGKBIG-QGZVFWFLSA-N
XLogP1.05
TPSA91.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 93069029
[(3S)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 93069053
[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 53007837
[(3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 92750491
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 95073333
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073354
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073353
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 95073306
(4-methylsulfonyl-1,4-diazepan-1-yl)-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 97433997
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 95073386
1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53085654

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 95073364) is [(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4ccccn4)CC3)C2)c1.
What is the InChIKey of [(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is NCXBEFXACGKBIG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N6O3S/c1-2-23-15-19(22-16-23)30(28,29)26-9-5-6-17(14-26)20(27)25-12-10-24(11-13-25)18-7-3-4-8-21-18/h3-4,7-8,15-17H,2,5-6,9-14H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 432.55 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 95073364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).