N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide

C22H30N2O2S — CID 23000924

IUPACN-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide
SMILESCC1CN(CCc2ccccc2)CCC1(C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C22H30N2O2S/c1-18-17-24(14-12-19-8-5-4-6-9-19)15-13-22(18,2)20-10-7-11-21(16-20)23-27(3,25)26/h4-11,16,18,23H,12-15,17H2,1-3H3
InChIKeyMSKRDNFUROXRKN-UHFFFAOYSA-N
MW386.56 g/mol
LogP3.90
Rot. Bonds6

About N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide

N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide (PubChem CID 23000924) has the molecular formula C22H30N2O2S and a molecular weight of 386.56 g/mol. Its IUPAC name is N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide
PubChem CID23000924
Molecular FormulaC22H30N2O2S
Molecular Weight386.56 g/mol
Exact Mass386.20
IUPAC NameN-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide
SMILESCC1CN(CCc2ccccc2)CCC1(C)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C22H30N2O2S/c1-18-17-24(14-12-19-8-5-4-6-9-19)15-13-22(18,2)20-10-7-11-21(16-20)23-27(3,25)26/h4-11,16,18,23H,12-15,17H2,1-3H3
InChIKeyMSKRDNFUROXRKN-UHFFFAOYSA-N
XLogP3.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3,4-dimethyl-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]phenyl]methanesulfonamide
CID 23001028
N-[3-[(3R,4S)-1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpiperidin-4-yl]phenyl]methanesulfonamide
CID 21355976
N-[3-[1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpiperidin-4-yl]phenyl]methanesulfonamide
CID 23000941
N-[3-[(3R,4S)-1-(5-cyanopentyl)-3,4-dimethylpiperidin-4-yl]phenyl]methanesulfonamide
CID 21355990
N-[3-[(3R,4S)-1-[(E)-3-cyclohexylprop-2-enyl]-3,4-dimethylpiperidin-4-yl]phenyl]methanesulfonamide
CID 21355939
N-[3-[(3R,4S)-1-(6,6-dimethylhept-2-en-4-ynyl)-3,4-dimethylpiperidin-4-yl]phenyl]methanesulfonamide
CID 91380224
N-[3-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]phenyl]heptane-1-sulfonamide
CID 21355969
3-[(3R,4R)-3,4-dimethyl-1-(4-phenylbutyl)piperidin-4-yl]phenol
CID 10382459
4-[2-[(3R,4S)-3,4-dimethyl-4-phenylpiperidin-1-yl]ethyl]phenol;hydrobromide
CID 70588688
2,2,2-trifluoro-N-[3-(1-hexyl-3,4-dimethylpiperidin-4-yl)phenyl]ethanesulfonamide
CID 23001078
(3R,4S)-3,4-dimethyl-1-[2-(4-nitrophenyl)ethyl]-4-phenylpiperidine;hydrochloride
CID 70588703
N-[4-[2-[6-[3-(methanesulfonamido)phenyl]-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]ethyl]phenyl]methanesulfonamide;N-[3-(6-methyl-3-azabicyclo[3.1.0]hexan-6-yl)phenyl]methanesulfonamide;propylbenzene
CID 159351782

Frequently Asked Questions

What is the IUPAC name of N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide (CID 23000924) is N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide is CC1CN(CCc2ccccc2)CCC1(C)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide?
The InChIKey is MSKRDNFUROXRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2S/c1-18-17-24(14-12-19-8-5-4-6-9-19)15-13-22(18,2)20-10-7-11-21(16-20)23-27(3,25)26/h4-11,16,18,23H,12-15,17H2,1-3H3.
What are the key properties of N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide?
N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide has a molecular weight of 386.56 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3,4-dimethyl-1-(2-phenylethyl)piperidin-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 23000924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).