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

C13H19ClN2OS — CID 120576515

IUPAC3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC1NCCCC1NC(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2OS/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)
InChIKeyUVJZNCJBOYUPCL-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.59
Rot. Bonds4

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

3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide (PubChem CID 120576515) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
PubChem CID120576515
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide
SMILESCC1NCCCC1NC(=O)CCc1ccc(Cl)s1
InChIInChI=1S/C13H19ClN2OS/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)
InChIKeyUVJZNCJBOYUPCL-UHFFFAOYSA-N
XLogP2.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.59
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;hydrochloride
CID 120576514
3-(4-chlorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120574232
3-(5-chlorothiophen-2-yl)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120555813
5-chloro-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide
CID 114695049
2-(5-bromothiophen-2-yl)-N-(2-methylpiperidin-3-yl)acetamide
CID 120575828
3-(5-chlorothiophen-2-yl)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119451026
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(5-chlorothiophen-2-yl)propanamide
CID 100838666
3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide
CID 120575814
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide
CID 120577468
5-(4-methylphenyl)-N-(2-methylpiperidin-3-yl)pentanamide
CID 120576475
4-(2,5-dimethylthiophen-3-yl)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576336

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide (CID 120576515) is 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide is CC1NCCCC1NC(=O)CCc1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide?
The InChIKey is UVJZNCJBOYUPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/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).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide?
3-(5-chlorothiophen-2-yl)-N-(2-methylpiperidin-3-yl)propanamide has a molecular weight of 286.83 g/mol, XLogP of 2.59, 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 is sourced from PubChem (CID 120576515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).