2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

C18H29ClN2O2S — CID 119823825

IUPAC2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)Oc1ccc(SC)cc1)C1CCNCC1.Cl
InChIInChI=1S/C18H28N2O2S.ClH/c1-4-13-20(15-9-11-19-12-10-15)18(21)14(2)22-16-5-7-17(23-3)8-6-16;/h5-8,14-15,19H,4,9-13H2,1-3H3;1H
InChIKeyPDOBPMFDZBZECQ-UHFFFAOYSA-N
MW372.96 g/mol
LogP3.59
Rot. Bonds7

About 2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride

2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (PubChem CID 119823825) has the molecular formula C18H29ClN2O2S and a molecular weight of 372.96 g/mol. Its IUPAC name is 2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
PubChem CID119823825
Molecular FormulaC18H29ClN2O2S
Molecular Weight372.96 g/mol
Exact Mass372.16
IUPAC Name2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
SMILESCCCN(C(=O)C(C)Oc1ccc(SC)cc1)C1CCNCC1.Cl
InChIInChI=1S/C18H28N2O2S.ClH/c1-4-13-20(15-9-11-19-12-10-15)18(21)14(2)22-16-5-7-17(23-3)8-6-16;/h5-8,14-15,19H,4,9-13H2,1-3H3;1H
InChIKeyPDOBPMFDZBZECQ-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.96
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532521
2-(3-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532235
2-(2-bromo-4-fluorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824478
2-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529832
2-(4-bromophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119826199
2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824897
2-(4-methoxyphenyl)sulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119529909
2-(5-methyl-2-propan-2-ylphenoxy)-N-piperidin-4-yl-N-propylpropanamide
CID 119825707
2-chloro-5-methylsulfanyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119825165
N-methyl-2-(4-methylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442967
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842
2-(2-chloro-5-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532550

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The IUPAC name of 2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride (CID 119823825) is 2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride.
What is the SMILES notation for 2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The canonical SMILES for 2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is CCCN(C(=O)C(C)Oc1ccc(SC)cc1)C1CCNCC1.Cl.
What is the InChIKey of 2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
The InChIKey is PDOBPMFDZBZECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S.ClH/c1-4-13-20(15-9-11-19-12-10-15)18(21)14(2)22-16-5-7-17(23-3)8-6-16;/h5-8,14-15,19H,4,9-13H2,1-3H3;1H.
What are the key properties of 2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride?
2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride has a molecular weight of 372.96 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylphenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 119823825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).