N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride

C15H25Cl2N3OS — CID 119556484

IUPACN-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CSCc1ccccn1)NCCC1CCCNC1
InChIInChI=1S/C15H23N3OS.2ClH/c19-15(12-20-11-14-5-1-2-8-17-14)18-9-6-13-4-3-7-16-10-13;;/h1-2,5,8,13,16H,3-4,6-7,9-12H2,(H,18,19);2*1H
InChIKeyMLQBZHIAORHBJN-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.66
Rot. Bonds7

About N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride

N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride (PubChem CID 119556484) has the molecular formula C15H25Cl2N3OS and a molecular weight of 366.36 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
PubChem CID119556484
Molecular FormulaC15H25Cl2N3OS
Molecular Weight366.36 g/mol
Exact Mass365.11
IUPAC NameN-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CSCc1ccccn1)NCCC1CCCNC1
InChIInChI=1S/C15H23N3OS.2ClH/c19-15(12-20-11-14-5-1-2-8-17-14)18-9-6-13-4-3-7-16-10-13;;/h1-2,5,8,13,16H,3-4,6-7,9-12H2,(H,18,19);2*1H
InChIKeyMLQBZHIAORHBJN-UHFFFAOYSA-N
XLogP2.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119461406
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243
2-(piperidin-3-ylmethylsulfanylmethyl)pyridine
CID 71637112
2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
CID 119557511
N-(2-hydroxyethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901516
2-(2-oxo-1-pyridinyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557505
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
2-(2-oxo-1-pyridinyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119557506
N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120573924
N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119558250
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]pyridine-2-carboxamide
CID 119535290

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride (CID 119556484) is N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride is Cl.Cl.O=C(CSCc1ccccn1)NCCC1CCCNC1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride?
The InChIKey is MLQBZHIAORHBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS.2ClH/c19-15(12-20-11-14-5-1-2-8-17-14)18-9-6-13-4-3-7-16-10-13;;/h1-2,5,8,13,16H,3-4,6-7,9-12H2,(H,18,19);2*1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride?
N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride has a molecular weight of 366.36 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride is sourced from PubChem (CID 119556484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).