1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide

C16H26N2O3S — CID 119993734

IUPAC1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H26N2O3S/c1-3-11-18(15-7-9-17-10-8-15)22(19,20)13-14-5-4-6-16(12-14)21-2/h4-6,12,15,17H,3,7-11,13H2,1-2H3
InChIKeyMDQCKGGPQRABKF-UHFFFAOYSA-N
MW326.46 g/mol
LogP1.99
Rot. Bonds7

About 1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide

1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide (PubChem CID 119993734) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
PubChem CID119993734
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
SMILESCCCN(C1CCNCC1)S(=O)(=O)Cc1cccc(OC)c1
InChIInChI=1S/C16H26N2O3S/c1-3-11-18(15-7-9-17-10-8-15)22(19,20)13-14-5-4-6-16(12-14)21-2/h4-6,12,15,17H,3,7-11,13H2,1-2H3
InChIKeyMDQCKGGPQRABKF-UHFFFAOYSA-N
XLogP1.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[piperidin-4-yl(propyl)sulfamoyl]methyl]benzoate;hydrochloride
CID 119994180
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119978714
N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 119994035
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978713
1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119993752
1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride
CID 119993751
3-bromo-5-methoxy-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 120712674
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine
CID 119993996
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
1-methoxy-3-[(3-methoxyphenyl)methylsulfonylmethyl]benzene
CID 20702839
3-[(3-methoxyphenyl)methyl]piperidin-4-amine
CID 84787596

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide (CID 119993734) is 1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide is CCCN(C1CCNCC1)S(=O)(=O)Cc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide?
The InChIKey is MDQCKGGPQRABKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-3-11-18(15-7-9-17-10-8-15)22(19,20)13-14-5-4-6-16(12-14)21-2/h4-6,12,15,17H,3,7-11,13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide?
1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide is sourced from PubChem (CID 119993734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).