2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

C18H24N4O3 — CID 100837584

IUPAC2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccco1
InChIInChI=1S/C18H24N4O3/c1-12(15-5-3-9-24-15)19-16(23)11-22-8-2-4-14(10-22)17-20-18(25-21-17)13-6-7-13/h3,5,9,12-14H,2,4,6-8,10-11H2,1H3,(H,19,23)/t12-,14-/m1/s1
InChIKeyZLSHPBSSTYXDCN-TZMCWYRMSA-N
MW344.41 g/mol
LogP2.60
Rot. Bonds6

About 2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide

2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (PubChem CID 100837584) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
PubChem CID100837584
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CN1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccco1
InChIInChI=1S/C18H24N4O3/c1-12(15-5-3-9-24-15)19-16(23)11-22-8-2-4-14(10-22)17-20-18(25-21-17)13-6-7-13/h3,5,9,12-14H,2,4,6-8,10-11H2,1H3,(H,19,23)/t12-,14-/m1/s1
InChIKeyZLSHPBSSTYXDCN-TZMCWYRMSA-N
XLogP2.60
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The IUPAC name of 2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide (CID 100837584) is 2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is C[C@@H](NC(=O)CN1CCC[C@@H](c2noc(C3CC3)n2)C1)c1ccco1.
What is the InChIKey of 2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
The InChIKey is ZLSHPBSSTYXDCN-TZMCWYRMSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-12(15-5-3-9-24-15)19-16(23)11-22-8-2-4-14(10-22)17-20-18(25-21-17)13-6-7-13/h3,5,9,12-14H,2,4,6-8,10-11H2,1H3,(H,19,23)/t12-,14-/m1/s1.
What are the key properties of 2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide?
2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-[(1R)-1-(furan-2-yl)ethyl]acetamide is sourced from PubChem (CID 100837584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).