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

C14H23Cl2N3OS — CID 119461406

IUPACN-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CSCc1ccccn1)NCC1CCCNC1
InChIInChI=1S/C14H21N3OS.2ClH/c18-14(17-9-12-4-3-6-15-8-12)11-19-10-13-5-1-2-7-16-13;;/h1-2,5,7,12,15H,3-4,6,8-11H2,(H,17,18);2*1H
InChIKeySRXBOHGHJNYHSJ-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.27
Rot. Bonds6

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

N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride (PubChem CID 119461406) has the molecular formula C14H23Cl2N3OS and a molecular weight of 352.33 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
PubChem CID119461406
Molecular FormulaC14H23Cl2N3OS
Molecular Weight352.33 g/mol
Exact Mass351.09
IUPAC NameN-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
SMILESCl.Cl.O=C(CSCc1ccccn1)NCC1CCCNC1
InChIInChI=1S/C14H21N3OS.2ClH/c18-14(17-9-12-4-3-6-15-8-12)11-19-10-13-5-1-2-7-16-13;;/h1-2,5,7,12,15H,3-4,6,8-11H2,(H,17,18);2*1H
InChIKeySRXBOHGHJNYHSJ-UHFFFAOYSA-N
XLogP2.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)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-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119556484
2-(piperidin-3-ylmethylsulfanylmethyl)pyridine
CID 71637112
2-[(4-chlorophenyl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462416
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
N-(piperidin-3-ylmethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 119461328
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-(piperidin-3-ylmethyl)acetamide
CID 119461876
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
2-methylsulfanyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119462298
N-(2-methylpiperidin-3-yl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 120573924
N-(piperidin-3-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetamide
CID 119462262
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-N-(piperidin-3-ylmethyl)acetamide
CID 119461471
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride (CID 119461406) is N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride is Cl.Cl.O=C(CSCc1ccccn1)NCC1CCCNC1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride?
The InChIKey is SRXBOHGHJNYHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS.2ClH/c18-14(17-9-12-4-3-6-15-8-12)11-19-10-13-5-1-2-7-16-13;;/h1-2,5,7,12,15H,3-4,6,8-11H2,(H,17,18);2*1H.
What are the key properties of N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride?
N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride has a molecular weight of 352.33 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride is sourced from PubChem (CID 119461406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).