[4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

C20H21N3O3S — CID 90589173

IUPAC[4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H21N3O3S/c1-15-19(23-12-6-5-9-18(23)21-15)20(24)22-13-10-17(11-14-22)27(25,26)16-7-3-2-4-8-16/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeyXVCQCTMTXXSVGB-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.72
Rot. Bonds3

About [4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone

[4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 90589173) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID90589173
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name[4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCc1nc2ccccn2c1C(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H21N3O3S/c1-15-19(23-12-6-5-9-18(23)21-15)20(24)22-13-10-17(11-14-22)27(25,26)16-7-3-2-4-8-16/h2-9,12,17H,10-11,13-14H2,1H3
InChIKeyXVCQCTMTXXSVGB-UHFFFAOYSA-N
XLogP2.72
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone (CID 90589173) is [4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is Cc1nc2ccccn2c1C(=O)N1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is XVCQCTMTXXSVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15-19(23-12-6-5-9-18(23)21-15)20(24)22-13-10-17(11-14-22)27(25,26)16-7-3-2-4-8-16/h2-9,12,17H,10-11,13-14H2,1H3.
What are the key properties of [4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone?
[4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 383.47 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 90589173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).