2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride

C18H26ClN5OS — CID 154905416

IUPAC2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCl.Cn1c(SCC(=O)NCCc2ccccc2)nnc1C1CCCNC1
InChIInChI=1S/C18H25N5OS.ClH/c1-23-17(15-8-5-10-19-12-15)21-22-18(23)25-13-16(24)20-11-9-14-6-3-2-4-7-14;/h2-4,6-7,15,19H,5,8-13H2,1H3,(H,20,24);1H
InChIKeyDLPCMOAPKRAQSC-UHFFFAOYSA-N
MW395.96 g/mol
LogP2.15
Rot. Bonds7

About 2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride

2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride (PubChem CID 154905416) has the molecular formula C18H26ClN5OS and a molecular weight of 395.96 g/mol. Its IUPAC name is 2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride
PubChem CID154905416
Molecular FormulaC18H26ClN5OS
Molecular Weight395.96 g/mol
Exact Mass395.15
IUPAC Name2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCl.Cn1c(SCC(=O)NCCc2ccccc2)nnc1C1CCCNC1
InChIInChI=1S/C18H25N5OS.ClH/c1-23-17(15-8-5-10-19-12-15)21-22-18(23)25-13-16(24)20-11-9-14-6-3-2-4-7-14;/h2-4,6-7,15,19H,5,8-13H2,1H3,(H,20,24);1H
InChIKeyDLPCMOAPKRAQSC-UHFFFAOYSA-N
XLogP2.15
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.96
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride with MolForge

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Related Compounds

2-[[4-methyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide
CID 126452046
N-cyclopropyl-2-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126439922
2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone;hydrochloride
CID 154904171
N,N-diethyl-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide;hydrochloride
CID 154906350
(3R)-3-[5-[2-(benzenesulfonyl)ethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]piperidine
CID 126428472
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7426941
acetic acid;3-[4-methyl-5-[(1-methylpyrazol-4-yl)methylsulfanyl]-1,2,4-triazol-3-yl]piperidine
CID 154907670
(3R)-3-[4-methyl-5-(2-pyrazol-1-ylethylsulfanyl)-1,2,4-triazol-3-yl]piperidine
CID 126441913
2-[4-methyl-5-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylacetamide
CID 126347475
3-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol
CID 126433718
N-(2-phenylethyl)-2-piperidin-3-ylacetamide
CID 62690707
acetic acid;3-methoxy-2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
CID 154884884

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride?
The IUPAC name of 2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride (CID 154905416) is 2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride is Cl.Cn1c(SCC(=O)NCCc2ccccc2)nnc1C1CCCNC1.
What is the InChIKey of 2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride?
The InChIKey is DLPCMOAPKRAQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS.ClH/c1-23-17(15-8-5-10-19-12-15)21-22-18(23)25-13-16(24)20-11-9-14-6-3-2-4-7-14;/h2-4,6-7,15,19H,5,8-13H2,1H3,(H,20,24);1H.
What are the key properties of 2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride?
2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride has a molecular weight of 395.96 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-5-piperidin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 154905416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).