2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide

C21H29N3O3S — CID 16888085

IUPAC2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C21H29N3O3S/c1-27-21-4-2-18(3-5-21)10-15-28(25,26)23-16-19-8-13-24(14-9-19)17-20-6-11-22-12-7-20/h2-7,11-12,19,23H,8-10,13-17H2,1H3
InChIKeyIGQFZYXGVGVRHG-UHFFFAOYSA-N
MW403.55 g/mol
LogP2.46
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide

2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide (PubChem CID 16888085) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
PubChem CID16888085
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccncc3)CC2)cc1
InChIInChI=1S/C21H29N3O3S/c1-27-21-4-2-18(3-5-21)10-15-28(25,26)23-16-19-8-13-24(14-9-19)17-20-6-11-22-12-7-20/h2-7,11-12,19,23H,8-10,13-17H2,1H3
InChIKeyIGQFZYXGVGVRHG-UHFFFAOYSA-N
XLogP2.46
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
2-(4-methoxyphenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 71786405
N'-[(4-methoxyphenyl)methyl]-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887107
1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888080
4-propoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888065
2-(4-methoxyphenyl)-N-[[1-(1,3-thiazol-2-yl)piperidin-3-yl]methyl]ethanesulfonamide
CID 90621946
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887679
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
N'-(2,4-dimethoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887109
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
4-methoxy-N-[[(3R)-1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42198115
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide (CID 16888085) is 2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide is COc1ccc(CCS(=O)(=O)NCC2CCN(Cc3ccncc3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide?
The InChIKey is IGQFZYXGVGVRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-27-21-4-2-18(3-5-21)10-15-28(25,26)23-16-19-8-13-24(14-9-19)17-20-6-11-22-12-7-20/h2-7,11-12,19,23H,8-10,13-17H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide?
2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide has a molecular weight of 403.55 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 16888085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).