2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

C18H22Cl2N2OS — CID 119441556

IUPAC2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)CSc1cccc2cccc(Cl)c12)C1CCNCC1.Cl
InChIInChI=1S/C18H21ClN2OS.ClH/c1-21(14-8-10-20-11-9-14)17(22)12-23-16-7-3-5-13-4-2-6-15(19)18(13)16;/h2-7,14,20H,8-12H2,1H3;1H
InChIKeyGIZYJXRFOWWGHG-UHFFFAOYSA-N
MW385.36 g/mol
LogP4.22
Rot. Bonds4

About 2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119441556) has the molecular formula C18H22Cl2N2OS and a molecular weight of 385.36 g/mol. Its IUPAC name is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119441556
Molecular FormulaC18H22Cl2N2OS
Molecular Weight385.36 g/mol
Exact Mass384.08
IUPAC Name2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)CSc1cccc2cccc(Cl)c12)C1CCNCC1.Cl
InChIInChI=1S/C18H21ClN2OS.ClH/c1-21(14-8-10-20-11-9-14)17(22)12-23-16-7-3-5-13-4-2-6-15(19)18(13)16;/h2-7,14,20H,8-12H2,1H3;1H
InChIKeyGIZYJXRFOWWGHG-UHFFFAOYSA-N
XLogP4.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.36
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442906
N-methyl-2-(2-methylphenyl)sulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442046
2-(8-chloronaphthalen-1-yl)sulfanyl-N,N-dimethylacetamide
CID 78784198
N-methyl-2-phenylsulfanyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119442580
2-(2,6-dichlorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 119444226
N-(1-aminopropan-2-yl)-2-(8-chloronaphthalen-1-yl)sulfanyl-N-methylacetamide;hydrochloride
CID 119581746
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119533953
2-(2-chloro-6-fluorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 43602048
2-(3-methoxyphenyl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide
CID 119444007
2-(8-chloronaphthalen-1-yl)sulfanyl-1-(3-methylpyrrolidin-1-yl)ethanone
CID 86877651
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-piperidin-4-ylbenzamide
CID 119388889

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (CID 119441556) is 2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is CN(C(=O)CSc1cccc2cccc(Cl)c12)C1CCNCC1.Cl.
What is the InChIKey of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is GIZYJXRFOWWGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2OS.ClH/c1-21(14-8-10-20-11-9-14)17(22)12-23-16-7-3-5-13-4-2-6-15(19)18(13)16;/h2-7,14,20H,8-12H2,1H3;1H.
What are the key properties of 2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 385.36 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloronaphthalen-1-yl)sulfanyl-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119441556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).