4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide

C16H24N2O5S — CID 70735264

IUPAC4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESCOc1ccccc1OC1CCN(C(=O)CCCS(N)(=O)=O)CC1
InChIInChI=1S/C16H24N2O5S/c1-22-14-5-2-3-6-15(14)23-13-8-10-18(11-9-13)16(19)7-4-12-24(17,20)21/h2-3,5-6,13H,4,7-12H2,1H3,(H2,17,20,21)
InChIKeyUKGKFEZLLHSYSY-UHFFFAOYSA-N
MW356.44 g/mol
LogP1.13
Rot. Bonds7

About 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide

4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide (PubChem CID 70735264) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide
PubChem CID70735264
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Name4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESCOc1ccccc1OC1CCN(C(=O)CCCS(N)(=O)=O)CC1
InChIInChI=1S/C16H24N2O5S/c1-22-14-5-2-3-6-15(14)23-13-8-10-18(11-9-13)16(19)7-4-12-24(17,20)21/h2-3,5-6,13H,4,7-12H2,1H3,(H2,17,20,21)
InChIKeyUKGKFEZLLHSYSY-UHFFFAOYSA-N
XLogP1.13
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70748201
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459
1-[4-(2-methoxyphenoxy)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 70786598
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one
CID 70713988
3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 110396740
(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 95872118
4-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 70745652
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
1-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 70782961
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70717882
[4-(2-methoxyphenoxy)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 70771871

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The IUPAC name of 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide (CID 70735264) is 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide.
What is the SMILES notation for 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The canonical SMILES for 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide is COc1ccccc1OC1CCN(C(=O)CCCS(N)(=O)=O)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The InChIKey is UKGKFEZLLHSYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-22-14-5-2-3-6-15(14)23-13-8-10-18(11-9-13)16(19)7-4-12-24(17,20)21/h2-3,5-6,13H,4,7-12H2,1H3,(H2,17,20,21).
What are the key properties of 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide?
4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide has a molecular weight of 356.44 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 70735264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).