3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride

C13H20Cl2N2OS — CID 120555813

IUPAC3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCc1ccc(Cl)s1.Cl
InChIInChI=1S/C13H19ClN2OS.ClH/c1-9-8-15-7-6-11(9)16-13(17)5-3-10-2-4-12(14)18-10;/h2,4,9,11,15H,3,5-8H2,1H3,(H,16,17);1H
InChIKeyHRLKEPSYMGNLQD-UHFFFAOYSA-N
MW323.29 g/mol
LogP2.87
Rot. Bonds4

About 3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride

3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120555813) has the molecular formula C13H20Cl2N2OS and a molecular weight of 323.29 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120555813
Molecular FormulaC13H20Cl2N2OS
Molecular Weight323.29 g/mol
Exact Mass322.07
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCc1ccc(Cl)s1.Cl
InChIInChI=1S/C13H19ClN2OS.ClH/c1-9-8-15-7-6-11(9)16-13(17)5-3-10-2-4-12(14)18-10;/h2,4,9,11,15H,3,5-8H2,1H3,(H,16,17);1H
InChIKeyHRLKEPSYMGNLQD-UHFFFAOYSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451026
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120576514
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576515
3-(2,4-dichlorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553265
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
3-(2-methylphenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120556745
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120555044
3-(4-tert-butylphenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120554957
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
3-(3-bromophenyl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554616
N-(3-methylpiperidin-4-yl)-3-naphthalen-2-ylpropanamide;hydrochloride
CID 120554205
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120555813) is 3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride is CC1CNCCC1NC(=O)CCc1ccc(Cl)s1.Cl.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is HRLKEPSYMGNLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS.ClH/c1-9-8-15-7-6-11(9)16-13(17)5-3-10-2-4-12(14)18-10;/h2,4,9,11,15H,3,5-8H2,1H3,(H,16,17);1H.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride?
3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 323.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120555813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).