N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide

C17H26N2O2S — CID 111429498

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C17H26N2O2S/c1-14-3-5-16(6-4-14)22-13-17(21)18-9-2-10-19-11-7-15(20)8-12-19/h3-6,15,20H,2,7-13H2,1H3,(H,18,21)
InChIKeyQSZUMCHCTXUCCI-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.05
Rot. Bonds7

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 111429498) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID111429498
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C17H26N2O2S/c1-14-3-5-16(6-4-14)22-13-17(21)18-9-2-10-19-11-7-15(20)8-12-19/h3-6,15,20H,2,7-13H2,1H3,(H,18,21)
InChIKeyQSZUMCHCTXUCCI-UHFFFAOYSA-N
XLogP2.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429425
2-(4-methylphenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390590
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 111434012
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477
2-phenylsulfanyl-N-(4-pyrrolidin-1-ylbutyl)acetamide
CID 39082370
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463000
N-[3-(4-hydroxypiperidin-1-yl)propyl]-4-methylpentanamide
CID 111429541
ethyl 4-[[2-(4-methylphenyl)sulfanylacetyl]amino]butanoate
CID 60625103
2-(6,7-dimethyl-1-benzofuran-3-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429617
formic acid;N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylpropanamide
CID 154910365
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-naphthalen-1-ylacetamide
CID 111429650

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide (CID 111429498) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NCCCN2CCC(O)CC2)cc1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is QSZUMCHCTXUCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-14-3-5-16(6-4-14)22-13-17(21)18-9-2-10-19-11-7-15(20)8-12-19/h3-6,15,20H,2,7-13H2,1H3,(H,18,21).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 322.47 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 111429498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).