[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

C18H26N2O6S — CID 2984873

IUPAC[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C18H26N2O6S/c1-24-15-5-6-16(25-2)17(12-15)27(22,23)20-7-3-4-14(13-20)18(21)19-8-10-26-11-9-19/h5-6,12,14H,3-4,7-11,13H2,1-2H3
InChIKeyABUVUNNCSXNKNO-UHFFFAOYSA-N
MW398.48 g/mol
LogP0.96
Rot. Bonds5

About [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone

[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 2984873) has the molecular formula C18H26N2O6S and a molecular weight of 398.48 g/mol. Its IUPAC name is [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID2984873
Molecular FormulaC18H26N2O6S
Molecular Weight398.48 g/mol
Exact Mass398.15
IUPAC Name[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)c1
InChIInChI=1S/C18H26N2O6S/c1-24-15-5-6-16(25-2)17(12-15)27(22,23)20-7-3-4-14(13-20)18(21)19-8-10-26-11-9-19/h5-6,12,14H,3-4,7-11,13H2,1-2H3
InChIKeyABUVUNNCSXNKNO-UHFFFAOYSA-N
XLogP0.96
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]piperidine-3-carboxylate
CID 4095236
1-[1-(2,5-Dimethoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118308412
[1-(3,4-Dimethoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 1327421
1-[(2,5-dimethoxyphenyl)sulfonyl]-N-(tetrahydro-2-furanylmethyl)-4-piperidinecarboxamide
CID 2963986
Ethyl 4-({1-[(2,5-dimethoxyphenyl)sulfonyl]-4-piperidinyl}carbonyl)-1-piperazinecarboxylate
CID 2963991
Ethyl 4-({1-[(2-methoxy-5-methylphenyl)sulfonyl]-3-piperidinyl}carbonyl)-1-piperazinecarboxylate
CID 2974580
Ethyl 4-({1-[(4-ethoxyphenyl)sulfonyl]piperidin-3-yl}carbonyl)piperazine-1-carboxylate
CID 2989187
4-({1-[(4-Ethoxy-3-methylphenyl)sulfonyl]-3-piperidinyl}carbonyl)morpholine
CID 24794326
[1-(2,5-Dimethoxy-benzenesulfonyl)-piperidin-4-yl]-pyrrolidin-1-yl-methanone
CID 1093354
4-({1-[(2,5-Dimethoxyphenyl)sulfonyl]-4-piperidinyl}carbonyl)morpholine
CID 1093359
4-({1-[(2-Methoxy-5-methylphenyl)sulfonyl]-4-piperidinyl}carbonyl)morpholine
CID 2304431
4-({1-[(4-Ethoxyphenyl)sulfonyl]-3-piperidinyl}carbonyl)morpholine
CID 2992541

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone (CID 2984873) is [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is COc1ccc(OC)c(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)c1.
What is the InChIKey of [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is ABUVUNNCSXNKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6S/c1-24-15-5-6-16(25-2)17(12-15)27(22,23)20-7-3-4-14(13-20)18(21)19-8-10-26-11-9-19/h5-6,12,14H,3-4,7-11,13H2,1-2H3.
What are the key properties of [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone?
[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 398.48 g/mol, XLogP of 0.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 2984873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).