N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride

C14H23Cl2N3OS — CID 119442281

IUPACN-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
SMILESCN(C(=O)CSCc1ccccn1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C14H21N3OS.2ClH/c1-17(13-5-8-15-9-6-13)14(18)11-19-10-12-4-2-3-7-16-12;;/h2-4,7,13,15H,5-6,8-11H2,1H3;2*1H
InChIKeyMGNFDEKRJFSPIN-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.37
Rot. Bonds5

About N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride

N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride (PubChem CID 119442281) has the molecular formula C14H23Cl2N3OS and a molecular weight of 352.33 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
PubChem CID119442281
Molecular FormulaC14H23Cl2N3OS
Molecular Weight352.33 g/mol
Exact Mass351.09
IUPAC NameN-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
SMILESCN(C(=O)CSCc1ccccn1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C14H21N3OS.2ClH/c1-17(13-5-8-15-9-6-13)14(18)11-19-10-12-4-2-3-7-16-12;;/h2-4,7,13,15H,5-6,8-11H2,1H3;2*1H
InChIKeyMGNFDEKRJFSPIN-UHFFFAOYSA-N
XLogP2.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046
N-methyl-N-(1-methylpiperidin-4-yl)-2-pyridin-2-ylacetamide
CID 110468198
2-(2-chlorophenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442906
N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119461406
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(pyridin-2-ylmethylsulfanyl)ethanone
CID 95299053
1-piperazin-1-yl-3-(pyridin-2-ylmethylsulfanyl)propan-1-one
CID 119403304
N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120573924
N-cyclopropyl-2-(pyridin-2-ylmethylsulfanyl)-N-(thiophen-3-ylmethyl)acetamide
CID 51095235
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(pyridin-2-ylmethylsulfanyl)ethanone;dihydrochloride
CID 120814691
2-[(2,4-dichlorophenyl)methylsulfanyl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119551541
N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119868611

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride (CID 119442281) is N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride is CN(C(=O)CSCc1ccccn1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride?
The InChIKey is MGNFDEKRJFSPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS.2ClH/c1-17(13-5-8-15-9-6-13)14(18)11-19-10-12-4-2-3-7-16-12;;/h2-4,7,13,15H,5-6,8-11H2,1H3;2*1H.
What are the key properties of N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride?
N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride has a molecular weight of 352.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride is sourced from PubChem (CID 119442281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).