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

C18H28N2O2S — CID 111434012

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15-3-5-16(6-4-15)13-23-14-18(22)19-9-2-10-20-11-7-17(21)8-12-20/h3-6,17,21H,2,7-14H2,1H3,(H,19,22)
InChIKeyBUXPSRBLZWVTFF-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.19
Rot. Bonds8

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

N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (PubChem CID 111434012) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
PubChem CID111434012
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccc(CSCC(=O)NCCCN2CCC(O)CC2)cc1
InChIInChI=1S/C18H28N2O2S/c1-15-3-5-16(6-4-15)13-23-14-18(22)19-9-2-10-20-11-7-17(21)8-12-20/h3-6,17,21H,2,7-14H2,1H3,(H,19,22)
InChIKeyBUXPSRBLZWVTFF-UHFFFAOYSA-N
XLogP2.19
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.19
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-[(4-methylphenyl)methylsulfanyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 2987188
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenyl)sulfanylacetamide
CID 111429498
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111429425
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
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111429533
N-[3-(azepan-1-yl)propyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide
CID 99951347
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 5152285
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
2-(cyclohexen-1-yl)-N-[3-(4-hydroxypiperidin-1-yl)propyl]acetamide
CID 111433969
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide (CID 111434012) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide is Cc1ccc(CSCC(=O)NCCCN2CCC(O)CC2)cc1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is BUXPSRBLZWVTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-15-3-5-16(6-4-15)13-23-14-18(22)19-9-2-10-20-11-7-17(21)8-12-20/h3-6,17,21H,2,7-14H2,1H3,(H,19,22).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 336.50 g/mol, XLogP of 2.19, 8 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)methylsulfanyl]acetamide is sourced from PubChem (CID 111434012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).