1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone

C21H26N2OS — CID 119374247

IUPAC1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone
SMILESCc1ccc(SC(C(=O)N2CCC(N)CC2)c2ccccc2)c(C)c1
InChIInChI=1S/C21H26N2OS/c1-15-8-9-19(16(2)14-15)25-20(17-6-4-3-5-7-17)21(24)23-12-10-18(22)11-13-23/h3-9,14,18,20H,10-13,22H2,1-2H3
InChIKeyJVNZDLNWOHMKON-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.09
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone

1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone (PubChem CID 119374247) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone
PubChem CID119374247
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone
SMILESCc1ccc(SC(C(=O)N2CCC(N)CC2)c2ccccc2)c(C)c1
InChIInChI=1S/C21H26N2OS/c1-15-8-9-19(16(2)14-15)25-20(17-6-4-3-5-7-17)21(24)23-12-10-18(22)11-13-23/h3-9,14,18,20H,10-13,22H2,1-2H3
InChIKeyJVNZDLNWOHMKON-UHFFFAOYSA-N
XLogP4.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone 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

1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone;hydrochloride
CID 119484659
1-(4-aminopiperidin-1-yl)-2-phenyl-2-phenylsulfanylethanone
CID 119372814
1-[(3R)-3-aminopyrrolidin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 119409196
2-(2,4-dimethylphenyl)sulfanyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 119451152
2-(2-chlorophenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119562919
(2R)-2-(2,4-dimethylphenyl)sulfanyl-N-(methylcarbamoyl)-2-phenylacetamide
CID 2675662
1-[4-(aminomethyl)piperidin-1-yl]-2-(2,5-difluorophenyl)sulfanyl-2-phenylethanone;hydrochloride
CID 119423328
1-(4-aminopiperidin-1-yl)-3-phenylbutan-1-one
CID 72638559
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2,5-difluorophenyl)sulfanyl-2-phenylethanone
CID 120818251
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
CID 119376277
(2S)-1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 39416084
1-(4-aminopiperidin-1-yl)-2-(2-chloro-5-methylphenoxy)propan-1-one
CID 119376206

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone (CID 119374247) is 1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone is Cc1ccc(SC(C(=O)N2CCC(N)CC2)c2ccccc2)c(C)c1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone?
The InChIKey is JVNZDLNWOHMKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-15-8-9-19(16(2)14-15)25-20(17-6-4-3-5-7-17)21(24)23-12-10-18(22)11-13-23/h3-9,14,18,20H,10-13,22H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone?
1-(4-aminopiperidin-1-yl)-2-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone has a molecular weight of 354.52 g/mol, XLogP of 4.09, 4 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-(2,4-dimethylphenyl)sulfanyl-2-phenylethanone is sourced from PubChem (CID 119374247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).