N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide

C18H28N2O3S — CID 86819902

IUPACN,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)(=O)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-15(18(21)19(2)3)24(22,23)20-13-11-17(12-14-20)10-9-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3
InChIKeyDELGWHLZSUQZKZ-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.14
Rot. Bonds6

About N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide

N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide (PubChem CID 86819902) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide
PubChem CID86819902
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide
SMILESCC(C(=O)N(C)C)S(=O)(=O)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O3S/c1-15(18(21)19(2)3)24(22,23)20-13-11-17(12-14-20)10-9-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3
InChIKeyDELGWHLZSUQZKZ-UHFFFAOYSA-N
XLogP2.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methylsulfonyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 47039161
(2R)-2-amino-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119276186
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine
CID 46086776
2-(4-phenylpiperidin-1-yl)sulfonylpropanoic acid
CID 61457828
tert-butyl 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
1-(3-methylphenyl)sulfonyl-4-[2-(4-phenylphenyl)ethyl]piperidine
CID 46087013
3-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119949251
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
(3R)-1-ethylsulfonyl-3-(2-phenylethyl)piperidine
CID 42212255
1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]sulfonylazepane
CID 52552627
(2R)-3-(4-benzylpiperidin-1-yl)sulfonyl-2-methylpropanoic acid
CID 42035725

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide?
The IUPAC name of N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide (CID 86819902) is N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide?
The canonical SMILES for N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide is CC(C(=O)N(C)C)S(=O)(=O)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide?
The InChIKey is DELGWHLZSUQZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-15(18(21)19(2)3)24(22,23)20-13-11-17(12-14-20)10-9-16-7-5-4-6-8-16/h4-8,15,17H,9-14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide?
N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide has a molecular weight of 352.50 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(2-phenylethyl)piperidin-1-yl]sulfonylpropanamide is sourced from PubChem (CID 86819902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).