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

C13H20Cl2N2OS — CID 120576514

IUPAC3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
SMILESCC1NCCCC1NC(=O)CCc1ccc(Cl)s1.Cl
InChIInChI=1S/C13H19ClN2OS.ClH/c1-9-11(3-2-8-15-9)16-13(17)7-5-10-4-6-12(14)18-10;/h4,6,9,11,15H,2-3,5,7-8H2,1H3,(H,16,17);1H
InChIKeyFXBWOUJMCYUIPF-UHFFFAOYSA-N
MW323.29 g/mol
LogP3.01
Rot. Bonds4

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

3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride (PubChem CID 120576514) has the molecular formula C13H20Cl2N2OS and a molecular weight of 323.29 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
PubChem CID120576514
Molecular FormulaC13H20Cl2N2OS
Molecular Weight323.29 g/mol
Exact Mass322.07
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
SMILESCC1NCCCC1NC(=O)CCc1ccc(Cl)s1.Cl
InChIInChI=1S/C13H19ClN2OS.ClH/c1-9-11(3-2-8-15-9)16-13(17)7-5-10-4-6-12(14)18-10;/h4,6,9,11,15H,2-3,5,7-8H2,1H3,(H,16,17);1H
InChIKeyFXBWOUJMCYUIPF-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576515
3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120555813
3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120574232
5-chloro-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 114695049
3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451026
2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 120575828
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(5-chlorothiophen-2-yl)propanamide
CID 100838666
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120576474
4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)-4-oxobutanamide;hydrochloride
CID 120573740
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713
3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide
CID 120575814

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride (CID 120576514) is 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride is CC1NCCCC1NC(=O)CCc1ccc(Cl)s1.Cl.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
The InChIKey is FXBWOUJMCYUIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS.ClH/c1-9-11(3-2-8-15-9)16-13(17)7-5-10-4-6-12(14)18-10;/h4,6,9,11,15H,2-3,5,7-8H2,1H3,(H,16,17);1H.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride?
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride has a molecular weight of 323.29 g/mol, XLogP of 3.01, 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-(2-methylpiperidin-3-yl)propanamide;hydrochloride is sourced from PubChem (CID 120576514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).