3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride

C13H20Cl2N2OS — CID 119443256

IUPAC3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCc1cc(Cl)cs1)C1CCNCC1.Cl
InChIInChI=1S/C13H19ClN2OS.ClH/c1-16(11-4-6-15-7-5-11)13(17)3-2-12-8-10(14)9-18-12;/h8-9,11,15H,2-7H2,1H3;1H
InChIKeyPTOMMIWYKOSWEE-UHFFFAOYSA-N
MW323.29 g/mol
LogP2.97
Rot. Bonds4

About 3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride

3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119443256) has the molecular formula C13H20Cl2N2OS and a molecular weight of 323.29 g/mol. Its IUPAC name is 3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119443256
Molecular FormulaC13H20Cl2N2OS
Molecular Weight323.29 g/mol
Exact Mass322.07
IUPAC Name3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCN(C(=O)CCc1cc(Cl)cs1)C1CCNCC1.Cl
InChIInChI=1S/C13H19ClN2OS.ClH/c1-16(11-4-6-15-7-5-11)13(17)3-2-12-8-10(14)9-18-12;/h8-9,11,15H,2-7H2,1H3;1H
InChIKeyPTOMMIWYKOSWEE-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-piperidin-4-yl-3-thiophen-2-ylpropanamide;hydrochloride
CID 119442471
3-(2,5-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443603
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119442139
2-hydroxy-N-methyl-N-piperidin-4-ylacetamide
CID 89098845
2-(2,6-dichlorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 119444226
3-[3-(4-chlorothiophen-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228319
3-(4-chlorothiophen-2-yl)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124589955
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
3-(4-chlorothiophen-2-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120995039
3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441407
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
3-(5-chloro-2-methoxyanilino)-N-methyl-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119444531

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride (CID 119443256) is 3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride is CN(C(=O)CCc1cc(Cl)cs1)C1CCNCC1.Cl.
What is the InChIKey of 3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is PTOMMIWYKOSWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS.ClH/c1-16(11-4-6-15-7-5-11)13(17)3-2-12-8-10(14)9-18-12;/h8-9,11,15H,2-7H2,1H3;1H.
What are the key properties of 3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride?
3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 323.29 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorothiophen-2-yl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119443256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).