1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide

C16H22N2O2S — CID 649130

IUPAC1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
SMILESCc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-12-2-4-14(5-3-12)21-11-8-15(19)18-9-6-13(7-10-18)16(17)20/h2-5,13H,6-11H2,1H3,(H2,17,20)
InChIKeyUNDHWDSSMRYLKP-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.20
Rot. Bonds5

About 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide

1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide (PubChem CID 649130) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
PubChem CID649130
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide
SMILESCc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-12-2-4-14(5-3-12)21-11-8-15(19)18-9-6-13(7-10-18)16(17)20/h2-5,13H,6-11H2,1H3,(H2,17,20)
InChIKeyUNDHWDSSMRYLKP-UHFFFAOYSA-N
XLogP2.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide 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

(1R,2R)-N-(cyanomethyl)-2-{[(4-methylphenyl)sulfanyl]methyl}cyclohexane-1-carboxamide
CID 10308440
N-(8-Methyl-8-azabicyclo[3.2.1]oct-3-yl)-2-((4-methylphenyl)sulfanyl)acetamide
CID 557617
2-[(4-methylphenyl)thio]-N-(2-phenylethyl)acetamide
CID 846869
1-[2-(4-Methylphenyl)sulfanylacetyl]piperidine-4-carboxamide
CID 886822
N-(2-phenylethyl)-2-(phenylthio)propanamide
CID 2889783
1-(3-Benzylsulfanyl-propionyl)-piperidine-4-carboxylic acid amide
CID 6463287
1-(4-Ethylpiperazin-1-yl)-2-(4-methylphenyl)sulfanylethanone
CID 977706
3-Methyl-1-[4-(4-methylsulfanyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 742527
2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 846730
3-[(4-methylphenyl)sulfanyl]-N-(propan-2-yl)propanamide
CID 848239
4-Methylphenyl 3-(4-methyl-1-piperidinyl)-3-oxopropyl sulfide
CID 900529
Ethyl 4-{3-[(4-methylphenyl)sulfanyl]propanoyl}piperazine-1-carboxylate
CID 951587

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide (CID 649130) is 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide is Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
The InChIKey is UNDHWDSSMRYLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-2-4-14(5-3-12)21-11-8-15(19)18-9-6-13(7-10-18)16(17)20/h2-5,13H,6-11H2,1H3,(H2,17,20).
What are the key properties of 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide?
1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide has a molecular weight of 306.43 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)sulfanylpropanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 649130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).