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

Analyze 1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).