N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide

C20H31N3OS — CID 91843408

IUPACN-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCN2CCC(N3CCSCC3)CC2)c(C)c1
InChIInChI=1S/C20H31N3OS/c1-16-3-4-19(17(2)15-16)21-20(24)7-10-22-8-5-18(6-9-22)23-11-13-25-14-12-23/h3-4,15,18H,5-14H2,1-2H3,(H,21,24)
InChIKeyDABMSYSXQASFCQ-UHFFFAOYSA-N
MW361.56 g/mol
LogP3.15
Rot. Bonds5

About N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide

N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide (PubChem CID 91843408) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
PubChem CID91843408
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC NameN-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
SMILESCc1ccc(NC(=O)CCN2CCC(N3CCSCC3)CC2)c(C)c1
InChIInChI=1S/C20H31N3OS/c1-16-3-4-19(17(2)15-16)21-20(24)7-10-22-8-5-18(6-9-22)23-11-13-25-14-12-23/h3-4,15,18H,5-14H2,1-2H3,(H,21,24)
InChIKeyDABMSYSXQASFCQ-UHFFFAOYSA-N
XLogP3.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109032554
N-(2,4-dimethylphenyl)-3-piperazin-1-ylpropanamide
CID 28807910
N-(2,4-dimethylphenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110857210
N-pyridin-3-yl-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide
CID 91839263
N-(2-bromo-4-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014604
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
N-(2,4-dimethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027327
N-(3-methylphenyl)-2-(4-thiomorpholin-4-ylpiperidin-1-yl)acetamide
CID 171327671
N-(2,5-dimethylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154390
N-(4-amino-2-methoxyphenyl)-3-thiomorpholin-4-ylpropanamide
CID 28786654
N-(2,4-dimethylphenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]acetamide
CID 103657286
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,4-dimethylphenyl)propanamide
CID 109031261

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide (CID 91843408) is N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide is Cc1ccc(NC(=O)CCN2CCC(N3CCSCC3)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide?
The InChIKey is DABMSYSXQASFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-16-3-4-19(17(2)15-16)21-20(24)7-10-22-8-5-18(6-9-22)23-11-13-25-14-12-23/h3-4,15,18H,5-14H2,1-2H3,(H,21,24).
What are the key properties of N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide?
N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide has a molecular weight of 361.56 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(4-thiomorpholin-4-ylpiperidin-1-yl)propanamide is sourced from PubChem (CID 91843408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).