N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C18H26N4O3 — CID 51080852

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)NCC(c2ccco2)N2CCCCC2)n1
InChIInChI=1S/C18H26N4O3/c1-14-20-18(25-21-14)9-5-8-17(23)19-13-15(16-7-6-12-24-16)22-10-3-2-4-11-22/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,19,23)
InChIKeyDUVZCOVHOWWESG-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.64
Rot. Bonds8

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 51080852) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID51080852
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)NCC(c2ccco2)N2CCCCC2)n1
InChIInChI=1S/C18H26N4O3/c1-14-20-18(25-21-14)9-5-8-17(23)19-13-15(16-7-6-12-24-16)22-10-3-2-4-11-22/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,19,23)
InChIKeyDUVZCOVHOWWESG-UHFFFAOYSA-N
XLogP2.64
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 51080852) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is Cc1noc(CCCC(=O)NCC(c2ccco2)N2CCCCC2)n1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is DUVZCOVHOWWESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14-20-18(25-21-14)9-5-8-17(23)19-13-15(16-7-6-12-24-16)22-10-3-2-4-11-22/h6-7,12,15H,2-5,8-11,13H2,1H3,(H,19,23).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 346.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 51080852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).