(4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone

C20H21NO4S — CID 71805694

IUPAC(4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C20H21NO4S/c1-26(23,24)14-10-12-21(13-11-14)20(22)19-15-6-2-4-8-17(15)25-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3
InChIKeyARLLHCNQOMGCHU-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.96
Rot. Bonds2

About (4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone

(4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone (PubChem CID 71805694) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is (4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone
PubChem CID71805694
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name(4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone
SMILESCS(=O)(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1
InChIInChI=1S/C20H21NO4S/c1-26(23,24)14-10-12-21(13-11-14)20(22)19-15-6-2-4-8-17(15)25-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3
InChIKeyARLLHCNQOMGCHU-UHFFFAOYSA-N
XLogP2.96
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperidin-1-yl)-[1-(9H-xanthene-9-carbonyl)piperidin-4-yl]methanone
CID 55950323
methyl 1-(9H-xanthene-9-carbonyl)piperidine-4-carboxylate
CID 1147765
N-[[1-(9H-xanthene-9-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 71896595
(4-methyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
CID 17164721
N-cyclopropyl-1-(9H-xanthene-9-carbonyl)piperidine-4-carboxamide
CID 55903636
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(9H-xanthen-9-yl)methanone
CID 1246532
(4-cyclobutyl-1,4-diazepan-1-yl)-(9H-xanthen-9-yl)methanone
CID 131703888
(4-benzhydrylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone chloride
CID 44660412
[3-(hydroxymethyl)azetidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 121105783
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(9H-xanthen-9-yl)methanone
CID 23587391
[4-(4-nitrophenyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 2862465
2,2-dimethyl-N-[4-[4-(9H-xanthene-9-carbonyl)piperazin-1-yl]phenyl]propanamide
CID 1057849

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone?
The IUPAC name of (4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone (CID 71805694) is (4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone?
The canonical SMILES for (4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone is CS(=O)(=O)C1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1.
What is the InChIKey of (4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone?
The InChIKey is ARLLHCNQOMGCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-26(23,24)14-10-12-21(13-11-14)20(22)19-15-6-2-4-8-17(15)25-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3.
What are the key properties of (4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone?
(4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone has a molecular weight of 371.46 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperidin-1-yl)-(9H-xanthen-9-yl)methanone is sourced from PubChem (CID 71805694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).