[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C22H27NO6S — CID 122373730

IUPAC[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H27NO6S/c1-15-5-7-18(8-6-15)30(25,26)23-11-9-16(10-12-23)21(24)17-13-19(27-2)22(29-4)20(14-17)28-3/h5-8,13-14,16H,9-12H2,1-4H3
InChIKeyAROZRBBSBUGAPR-UHFFFAOYSA-N
MW433.53 g/mol
LogP3.30
Rot. Bonds7

About [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 122373730) has the molecular formula C22H27NO6S and a molecular weight of 433.53 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID122373730
Molecular FormulaC22H27NO6S
Molecular Weight433.53 g/mol
Exact Mass433.16
IUPAC Name[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H27NO6S/c1-15-5-7-18(8-6-15)30(25,26)23-11-9-16(10-12-23)21(24)17-13-19(27-2)22(29-4)20(14-17)28-3/h5-8,13-14,16H,9-12H2,1-4H3
InChIKeyAROZRBBSBUGAPR-UHFFFAOYSA-N
XLogP3.30
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704
(3,4-dimethylphenyl)-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 110394212
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
(4-fluorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438182
4-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzonitrile
CID 47065260
3-[4-(4-methylbenzoyl)piperidin-1-yl]sulfonylbenzoic acid
CID 6487028
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
[1-(3-bromophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 55913947
[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-(4-methylphenyl)methanone
CID 110394188
1-(4-methylphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 1131702
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 122373730) is [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is AROZRBBSBUGAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO6S/c1-15-5-7-18(8-6-15)30(25,26)23-11-9-16(10-12-23)21(24)17-13-19(27-2)22(29-4)20(14-17)28-3/h5-8,13-14,16H,9-12H2,1-4H3.
What are the key properties of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 433.53 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 122373730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).