1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one

C16H24N2OS — CID 92922974

IUPAC1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one
SMILESCc1cccc(SC(C)(C)C(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C16H24N2OS/c1-12-5-4-6-14(11-12)20-16(2,3)15(19)18-9-7-13(17)8-10-18/h4-6,11,13H,7-10,17H2,1-3H3
InChIKeyJRHRXCWZOLXTMP-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.82
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one

1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one (PubChem CID 92922974) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one
PubChem CID92922974
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one
SMILESCc1cccc(SC(C)(C)C(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C16H24N2OS/c1-12-5-4-6-14(11-12)20-16(2,3)15(19)18-9-7-13(17)8-10-18/h4-6,11,13H,7-10,17H2,1-3H3
InChIKeyJRHRXCWZOLXTMP-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one 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

N-(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-((4-methylphenyl)sulfanyl)acetamide
CID 557617
1-[2-(4-Methylphenyl)sulfanylacetyl]piperidine-4-carboxamide
CID 886822
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
4-Methylphenyl 3-(4-methyl-1-piperidinyl)-3-oxopropyl sulfide
CID 900529
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[(4-methylphenyl)thio]acetamide
CID 2175467
N-[2-(1-cyclohexen-1-yl)ethyl]-2-[(4-methylphenyl)thio]propanamide
CID 2947047
N-cycloheptyl-2-[(4-methylphenyl)sulfanyl]acetamide
CID 895771
1-[2-(4-Methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
CID 2947690
N-cyclopropyl-3-{1-[3-(methylthio)benzyl]-4-piperidinyl}propanamide
CID 23723339
Acetamide, 2-(phenylthio)-N-(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 894785
1-(3-p-Tolylsulfanyl-propionyl)-piperidine-4-carboxylic acid amide
CID 649130
N-(1-isopropyl-2-methylpropyl)-3-[(4-methylphenyl)sulfanyl]propanamide
CID 1796074

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one (CID 92922974) is 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one is Cc1cccc(SC(C)(C)C(=O)N2CCC(N)CC2)c1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one?
The InChIKey is JRHRXCWZOLXTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-5-4-6-14(11-12)20-16(2,3)15(19)18-9-7-13(17)8-10-18/h4-6,11,13H,7-10,17H2,1-3H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one?
1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one has a molecular weight of 292.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-methylphenyl)sulfanylpropan-1-one is sourced from PubChem (CID 92922974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).