3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide

C16H25N3O3S — CID 119952577

IUPAC3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide
SMILESCN(C(=O)CC(N)c1ccccc1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-18(14-8-10-19(11-9-14)23(2,21)22)16(20)12-15(17)13-6-4-3-5-7-13/h3-7,14-15H,8-12,17H2,1-2H3
InChIKeyWEBHKTVZDFJZLH-UHFFFAOYSA-N
MW339.46 g/mol
LogP0.96
Rot. Bonds5

About 3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide

3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide (PubChem CID 119952577) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide
PubChem CID119952577
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide
SMILESCN(C(=O)CC(N)c1ccccc1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C16H25N3O3S/c1-18(14-8-10-19(11-9-14)23(2,21)22)16(20)12-15(17)13-6-4-3-5-7-13/h3-7,14-15H,8-12,17H2,1-2H3
InChIKeyWEBHKTVZDFJZLH-UHFFFAOYSA-N
XLogP0.96
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide?
The IUPAC name of 3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide (CID 119952577) is 3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide is CN(C(=O)CC(N)c1ccccc1)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide?
The InChIKey is WEBHKTVZDFJZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-18(14-8-10-19(11-9-14)23(2,21)22)16(20)12-15(17)13-6-4-3-5-7-13/h3-7,14-15H,8-12,17H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide?
3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-methylsulfonylpiperidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 119952577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).