N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide

C22H28N2O3S — CID 72877580

IUPACN-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccccc1C(CC(=O)N1CCC(NS(C)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-17-8-6-7-11-20(17)21(18-9-4-3-5-10-18)16-22(25)24-14-12-19(13-15-24)23-28(2,26)27/h3-11,19,21,23H,12-16H2,1-2H3
InChIKeyHXVNHEODFVRPTP-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.06
Rot. Bonds6

About N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide

N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide (PubChem CID 72877580) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide
PubChem CID72877580
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide
SMILESCc1ccccc1C(CC(=O)N1CCC(NS(C)(=O)=O)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O3S/c1-17-8-6-7-11-20(17)21(18-9-4-3-5-10-18)16-22(25)24-14-12-19(13-15-24)23-28(2,26)27/h3-11,19,21,23H,12-16H2,1-2H3
InChIKeyHXVNHEODFVRPTP-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-hydroxypiperidin-1-yl)-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 25279572
(3R)-1-[4-(methoxymethyl)piperidin-1-yl]-3-(2-methylphenyl)-3-phenylpropan-1-one
CID 42245855
1-[4-(methylamino)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 119563055
N-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]methanesulfonamide
CID 94872067
(3R)-3-(2-hydroxyphenyl)-1-[4-[(3R)-3-(2-hydroxyphenyl)-3-phenylpropanoyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 98044350
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
1-[4-(methylamino)piperidin-1-yl]-3-phenylbutan-1-one;hydrochloride
CID 119561474
1-(4-aminopiperidin-1-yl)-3,3-diphenylpropan-1-one
CID 28804060
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 108564737
(2R)-2-(dimethylamino)-N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(2-methylphenyl)acetamide
CID 97278730
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide
CID 103155078

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide (CID 72877580) is N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide is Cc1ccccc1C(CC(=O)N1CCC(NS(C)(=O)=O)CC1)c1ccccc1.
What is the InChIKey of N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is HXVNHEODFVRPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-17-8-6-7-11-20(17)21(18-9-4-3-5-10-18)16-22(25)24-14-12-19(13-15-24)23-28(2,26)27/h3-11,19,21,23H,12-16H2,1-2H3.
What are the key properties of N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide?
N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2-methylphenyl)-3-phenylpropanoyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 72877580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).