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

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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).