3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide

C16H26N2OS — CID 50976292

IUPAC3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
SMILESCc1ccsc1CCNC(=O)CCC1CCCCN1C
InChIInChI=1S/C16H26N2OS/c1-13-9-12-20-15(13)8-10-17-16(19)7-6-14-5-3-4-11-18(14)2/h9,12,14H,3-8,10-11H2,1-2H3,(H,17,19)
InChIKeyXMRZOCJAIOBCOM-UHFFFAOYSA-N
MW294.46 g/mol
LogP2.98
Rot. Bonds6

About 3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide

3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide (PubChem CID 50976292) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
PubChem CID50976292
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide
SMILESCc1ccsc1CCNC(=O)CCC1CCCCN1C
InChIInChI=1S/C16H26N2OS/c1-13-9-12-20-15(13)8-10-17-16(19)7-6-14-5-3-4-11-18(14)2/h9,12,14H,3-8,10-11H2,1-2H3,(H,17,19)
InChIKeyXMRZOCJAIOBCOM-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-amino-N-((S)-1-cyano-2-phenylethyl)-3-(thiophen-2-yl)propanamide
CID 46883427
N-(3-phenylpropyl)-2-thiophen-2-ylacetamide
CID 2299844
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
1-(3-Thiophen-3-ylpropanoyl)piperidine-4-carboxamide
CID 9117696
3-cyclohexyl-N-(2-thienylmethyl)propanamide
CID 896861
Rac-4-propyl-8-(1-thiophen-2-yl-cyclohexyl)-2,8-diaza-spiro[4.5]decan-1-one
CID 44414888
3-phenyl-N-(2-thiophen-2-ylethyl)propanamide
CID 1508403
2,2-diphenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 1508404
N-(1-benzylpiperidin-4-yl)-2-(thiophen-2-yl)acetamide
CID 2712605
2-(4-Fluorophenyl)-N-[1-(4-methylpiperazin-1-YL)-1-(thiophen-2-YL)propan-2-YL]acetamide
CID 3236509
N-cyclopentyl-1-[(thiophen-2-ylacetyl)amino]cyclohexanecarboxamide
CID 3438532

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide?
The IUPAC name of 3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide (CID 50976292) is 3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide is Cc1ccsc1CCNC(=O)CCC1CCCCN1C.
What is the InChIKey of 3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide?
The InChIKey is XMRZOCJAIOBCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-13-9-12-20-15(13)8-10-17-16(19)7-6-14-5-3-4-11-18(14)2/h9,12,14H,3-8,10-11H2,1-2H3,(H,17,19).
What are the key properties of 3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide?
3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide has a molecular weight of 294.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-2-yl)-N-[2-(3-methylthiophen-2-yl)ethyl]propanamide is sourced from PubChem (CID 50976292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).