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

C15H20N4O3 — CID 131900099

IUPACN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)c3ccoc3)CC2)no1
InChIInChI=1S/C15H20N4O3/c1-11-17-14(18-22-11)9-19-5-2-12(3-6-19)8-16-15(20)13-4-7-21-10-13/h4,7,10,12H,2-3,5-6,8-9H2,1H3,(H,16,20)
InChIKeyDQGNXXCYLASIMU-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.61
Rot. Bonds5

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

N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide (PubChem CID 131900099) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide
PubChem CID131900099
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide
SMILESCc1nc(CN2CCC(CNC(=O)c3ccoc3)CC2)no1
InChIInChI=1S/C15H20N4O3/c1-11-17-14(18-22-11)9-19-5-2-12(3-6-19)8-16-15(20)13-4-7-21-10-13/h4,7,10,12H,2-3,5-6,8-9H2,1H3,(H,16,20)
InChIKeyDQGNXXCYLASIMU-UHFFFAOYSA-N
XLogP1.61
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide (CID 131900099) is N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide is Cc1nc(CN2CCC(CNC(=O)c3ccoc3)CC2)no1.
What is the InChIKey of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide?
The InChIKey is DQGNXXCYLASIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-11-17-14(18-22-11)9-19-5-2-12(3-6-19)8-16-15(20)13-4-7-21-10-13/h4,7,10,12H,2-3,5-6,8-9H2,1H3,(H,16,20).
What are the key properties of N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide?
N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 131900099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).