[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone

C19H29N3O7S2 — CID 55556402

IUPAC[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3CCCN(S(C)(=O)=O)C3)CC2)c1
InChIInChI=1S/C19H29N3O7S2/c1-28-16-6-7-17(29-2)18(13-16)31(26,27)21-11-9-20(10-12-21)19(23)15-5-4-8-22(14-15)30(3,24)25/h6-7,13,15H,4-5,8-12,14H2,1-3H3
InChIKeyPFJQGARXEBAJMG-UHFFFAOYSA-N
MW475.59 g/mol
LogP0.21
Rot. Bonds6

About [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone

[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone (PubChem CID 55556402) has the molecular formula C19H29N3O7S2 and a molecular weight of 475.59 g/mol. Its IUPAC name is [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
PubChem CID55556402
Molecular FormulaC19H29N3O7S2
Molecular Weight475.59 g/mol
Exact Mass475.14
IUPAC Name[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3CCCN(S(C)(=O)=O)C3)CC2)c1
InChIInChI=1S/C19H29N3O7S2/c1-28-16-6-7-17(29-2)18(13-16)31(26,27)21-11-9-20(10-12-21)19(23)15-5-4-8-22(14-15)30(3,24)25/h6-7,13,15H,4-5,8-12,14H2,1-3H3
InChIKeyPFJQGARXEBAJMG-UHFFFAOYSA-N
XLogP0.21
TPSA113.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 6458860
cyclohexyl-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110347019
cyclobutyl-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818774
[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 110818768
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 7453392
cyclobutyl-[4-(4-methoxy-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110799397
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
(1-methylsulfonylpiperidin-3-yl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 55555598
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861869
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 51931000
[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 126392197
[4-(4-fluorophenyl)piperazin-1-yl]-[(3R)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 41339357

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone (CID 55556402) is [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone is COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3CCCN(S(C)(=O)=O)C3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone?
The InChIKey is PFJQGARXEBAJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O7S2/c1-28-16-6-7-17(29-2)18(13-16)31(26,27)21-11-9-20(10-12-21)19(23)15-5-4-8-22(14-15)30(3,24)25/h6-7,13,15H,4-5,8-12,14H2,1-3H3.
What are the key properties of [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone?
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone has a molecular weight of 475.59 g/mol, XLogP of 0.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 55556402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).