N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride

C18H29Cl2N5O2S — CID 86814515

IUPACN-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride
SMILESCSCCC(NC(=O)COCC1CCCNC1)c1nnc2ccccn12.Cl.Cl
InChIInChI=1S/C18H27N5O2S.2ClH/c1-26-10-7-15(18-22-21-16-6-2-3-9-23(16)18)20-17(24)13-25-12-14-5-4-8-19-11-14;;/h2-3,6,9,14-15,19H,4-5,7-8,10-13H2,1H3,(H,20,24);2*1H
InChIKeyHKWQHBWBYQDIFO-UHFFFAOYSA-N
MW450.44 g/mol
LogP2.50
Rot. Bonds9

About N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride

N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride (PubChem CID 86814515) has the molecular formula C18H29Cl2N5O2S and a molecular weight of 450.44 g/mol. Its IUPAC name is N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride
PubChem CID86814515
Molecular FormulaC18H29Cl2N5O2S
Molecular Weight450.44 g/mol
Exact Mass449.14
IUPAC NameN-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride
SMILESCSCCC(NC(=O)COCC1CCCNC1)c1nnc2ccccn12.Cl.Cl
InChIInChI=1S/C18H27N5O2S.2ClH/c1-26-10-7-15(18-22-21-16-6-2-3-9-23(16)18)20-17(24)13-25-12-14-5-4-8-19-11-14;;/h2-3,6,9,14-15,19H,4-5,7-8,10-13H2,1H3,(H,20,24);2*1H
InChIKeyHKWQHBWBYQDIFO-UHFFFAOYSA-N
XLogP2.50
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride 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

N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide
CID 86814516
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-[[(3S)-piperidin-3-yl]methoxy]acetamide
CID 99780824
N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-[[(3R)-piperidin-3-yl]methoxy]acetamide
CID 99780822
2,2,2-trichloro-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 23474192
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-phenylacetamide
CID 42652598
2-(2-ethylphenoxy)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 55458850
4-amino-3-methoxy-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide;dihydrochloride
CID 120594914
2-(4-aminophenyl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide;dihydrochloride
CID 119837153
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 51268673
4-(methylamino)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]butanamide
CID 119837156
N-[2-[[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 51285932
2-(1,3-dioxoisoindol-2-yl)-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]acetamide
CID 42650767

Frequently Asked Questions

What is the IUPAC name of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride?
The IUPAC name of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride (CID 86814515) is N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride.
What is the SMILES notation for N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride?
The canonical SMILES for N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride is CSCCC(NC(=O)COCC1CCCNC1)c1nnc2ccccn12.Cl.Cl.
What is the InChIKey of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride?
The InChIKey is HKWQHBWBYQDIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S.2ClH/c1-26-10-7-15(18-22-21-16-6-2-3-9-23(16)18)20-17(24)13-25-12-14-5-4-8-19-11-14;;/h2-3,6,9,14-15,19H,4-5,7-8,10-13H2,1H3,(H,20,24);2*1H.
What are the key properties of N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride?
N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride has a molecular weight of 450.44 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(piperidin-3-ylmethoxy)acetamide;dihydrochloride is sourced from PubChem (CID 86814515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).