3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide

C16H22N2O3 — CID 62896803

IUPAC3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide
SMILESCC1CC1c1ccc(CCC(=O)NC2CCC(=O)NC2)o1
InChIInChI=1S/C16H22N2O3/c1-10-8-13(10)14-5-3-12(21-14)4-7-16(20)18-11-2-6-15(19)17-9-11/h3,5,10-11,13H,2,4,6-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyOKTDTGCLSOULQB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.73
Rot. Bonds5

About 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide

3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide (PubChem CID 62896803) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide
PubChem CID62896803
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide
SMILESCC1CC1c1ccc(CCC(=O)NC2CCC(=O)NC2)o1
InChIInChI=1S/C16H22N2O3/c1-10-8-13(10)14-5-3-12(21-14)4-7-16(20)18-11-2-6-15(19)17-9-11/h3,5,10-11,13H,2,4,6-9H2,1H3,(H,17,19)(H,18,20)
InChIKeyOKTDTGCLSOULQB-UHFFFAOYSA-N
XLogP1.73
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide (CID 62896803) is 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide is CC1CC1c1ccc(CCC(=O)NC2CCC(=O)NC2)o1.
What is the InChIKey of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide?
The InChIKey is OKTDTGCLSOULQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-8-13(10)14-5-3-12(21-14)4-7-16(20)18-11-2-6-15(19)17-9-11/h3,5,10-11,13H,2,4,6-9H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide?
3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide has a molecular weight of 290.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylcyclopropyl)furan-2-yl]-N-(6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 62896803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).