N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide

C17H26N2O5S — CID 108567341

IUPACN-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H26N2O5S/c1-4-25(21,22)18-14-7-9-19(10-8-14)17(20)12-13-5-6-15(23-2)16(11-13)24-3/h5-6,11,14,18H,4,7-10,12H2,1-3H3
InChIKeyXNYYVDYFYXPUGK-UHFFFAOYSA-N
MW370.47 g/mol
LogP1.18
Rot. Bonds7

About N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide

N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide (PubChem CID 108567341) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide
PubChem CID108567341
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC NameN-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C17H26N2O5S/c1-4-25(21,22)18-14-7-9-19(10-8-14)17(20)12-13-5-6-15(23-2)16(11-13)24-3/h5-6,11,14,18H,4,7-10,12H2,1-3H3
InChIKeyXNYYVDYFYXPUGK-UHFFFAOYSA-N
XLogP1.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548772
1-[2-(3,4-dimethoxyphenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 46420365
phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 108567349
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551562
N-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 50823518
2-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]ethanone
CID 90589610
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555406
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558608
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 47043589
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]pentan-1-one
CID 110365843
2-(3,4-dimethoxyphenyl)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 52906661

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide?
The IUPAC name of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide (CID 108567341) is N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide is CCS(=O)(=O)NC1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide?
The InChIKey is XNYYVDYFYXPUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-4-25(21,22)18-14-7-9-19(10-8-14)17(20)12-13-5-6-15(23-2)16(11-13)24-3/h5-6,11,14,18H,4,7-10,12H2,1-3H3.
What are the key properties of N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide?
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]ethanesulfonamide is sourced from PubChem (CID 108567341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).