3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide

C16H24N2OS — CID 47452087

IUPAC3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCC1CCN(CCNC(=O)c2sccc2C2CC2)CC1
InChIInChI=1S/C16H24N2OS/c1-12-4-8-18(9-5-12)10-7-17-16(19)15-14(6-11-20-15)13-2-3-13/h6,11-13H,2-5,7-10H2,1H3,(H,17,19)
InChIKeyABHZFYRAFKKUTD-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.09
Rot. Bonds5

About 3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide

3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide (PubChem CID 47452087) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide
PubChem CID47452087
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC Name3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide
SMILESCC1CCN(CCNC(=O)c2sccc2C2CC2)CC1
InChIInChI=1S/C16H24N2OS/c1-12-4-8-18(9-5-12)10-7-17-16(19)15-14(6-11-20-15)13-2-3-13/h6,11-13H,2-5,7-10H2,1H3,(H,17,19)
InChIKeyABHZFYRAFKKUTD-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide (CID 47452087) is 3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide is CC1CCN(CCNC(=O)c2sccc2C2CC2)CC1.
What is the InChIKey of 3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is ABHZFYRAFKKUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-4-8-18(9-5-12)10-7-17-16(19)15-14(6-11-20-15)13-2-3-13/h6,11-13H,2-5,7-10H2,1H3,(H,17,19).
What are the key properties of 3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide?
3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 292.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-(4-methylpiperidin-1-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 47452087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).