[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone

C19H28N2O3S — CID 49457529

IUPAC[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCC(C(=O)N3CCCCC3)C2)c1
InChIInChI=1S/C19H28N2O3S/c1-15-8-9-16(2)18(13-15)25(23,24)21-12-6-7-17(14-21)19(22)20-10-4-3-5-11-20/h8-9,13,17H,3-7,10-12,14H2,1-2H3
InChIKeyRDGQAWWJRSCZQN-UHFFFAOYSA-N
MW364.51 g/mol
LogP2.72
Rot. Bonds3

About [1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone

[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 49457529) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID49457529
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Name[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(C)c(S(=O)(=O)N2CCCC(C(=O)N3CCCCC3)C2)c1
InChIInChI=1S/C19H28N2O3S/c1-15-8-9-16(2)18(13-15)25(23,24)21-12-6-7-17(14-21)19(22)20-10-4-3-5-11-20/h8-9,13,17H,3-7,10-12,14H2,1-2H3
InChIKeyRDGQAWWJRSCZQN-UHFFFAOYSA-N
XLogP2.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperidin-1-yl)-[(3R)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanone
CID 100780199
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanone
CID 125062280
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 39977467
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 100780184
N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937
N-(3,5-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254941
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
CID 94381355
N-(4-acetamidophenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254979
N-(3,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254940

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone (CID 49457529) is [1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone is Cc1ccc(C)c(S(=O)(=O)N2CCCC(C(=O)N3CCCCC3)C2)c1.
What is the InChIKey of [1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is RDGQAWWJRSCZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-15-8-9-16(2)18(13-15)25(23,24)21-12-6-7-17(14-21)19(22)20-10-4-3-5-11-20/h8-9,13,17H,3-7,10-12,14H2,1-2H3.
What are the key properties of [1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone?
[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 364.51 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 49457529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).