(4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone

C21H32N2O3S — CID 40726998

IUPAC(4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c(C)c1
InChIInChI=1S/C21H32N2O3S/c1-15-5-9-22(10-6-15)21(24)19-7-11-23(12-8-19)27(25,26)20-17(3)13-16(2)14-18(20)4/h13-15,19H,5-12H2,1-4H3
InChIKeySGCLAEVSMSEFAC-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.27
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone

(4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone (PubChem CID 40726998) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
PubChem CID40726998
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name(4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
SMILESCc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c(C)c1
InChIInChI=1S/C21H32N2O3S/c1-15-5-9-22(10-6-15)21(24)19-7-11-23(12-8-19)27(25,26)20-17(3)13-16(2)14-18(20)4/h13-15,19H,5-12H2,1-4H3
InChIKeySGCLAEVSMSEFAC-UHFFFAOYSA-N
XLogP3.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cycloheptyl-1-[(2,4,6-Trimethylphenyl)sulfonyl]piperidine-4-Carboxamide
CID 2110176
1'-(Mesitylsulfonyl)-4-methyl-1,4'-bipiperidine
CID 91664325
4-Propan-2-yl-1-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 118308350
3-Methyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 717239
[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
N-cyclohexyl-1-[(2,4,6-trimethylphenyl)sulfonyl]piperidine-4-carboxamide
CID 1090889
N-cyclohexyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 17486918
N-benzyl-1-(mesitylsulfonyl)piperidine-4-carboxamide
CID 21372902
N-(cyclohexylmethyl)-1-(2,4-dimethylbenzenesulfonyl)piperidine-4-carboxamide
CID 24241093
Cyclohexyl(4-(3,5-dimethylphenylsulfonyl)piperazin-1-yl)methanone
CID 24944970
N-cyclooctyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26413325
N-cyclopentyl-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26697387

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone (CID 40726998) is (4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone is Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c(C)c1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is SGCLAEVSMSEFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-15-5-9-22(10-6-15)21(24)19-7-11-23(12-8-19)27(25,26)20-17(3)13-16(2)14-18(20)4/h13-15,19H,5-12H2,1-4H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 392.57 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 40726998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).