N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide

C17H26N2O3S — CID 651497

IUPACN-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
SMILESCC1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H26N2O3S/c1-15-8-11-18(12-9-15)17(20)14-19(23(2,21)22)13-10-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyVPGWIPAAUIHIPU-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.75
Rot. Bonds6

About N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide

N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide (PubChem CID 651497) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
PubChem CID651497
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide
SMILESCC1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1
InChIInChI=1S/C17H26N2O3S/c1-15-8-11-18(12-9-15)17(20)14-19(23(2,21)22)13-10-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyVPGWIPAAUIHIPU-UHFFFAOYSA-N
XLogP1.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide (CID 651497) is N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide is CC1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
The InChIKey is VPGWIPAAUIHIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-15-8-11-18(12-9-15)17(20)14-19(23(2,21)22)13-10-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide?
N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-N-(2-phenylethyl)methanesulfonamide is sourced from PubChem (CID 651497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).