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

C12H20N4O3 — CID 63877202

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide
SMILESCc1noc(CNC(=O)CCOC2CCNCC2)n1
InChIInChI=1S/C12H20N4O3/c1-9-15-12(19-16-9)8-14-11(17)4-7-18-10-2-5-13-6-3-10/h10,13H,2-8H2,1H3,(H,14,17)
InChIKeyHAVWASDJMUFOQL-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.15
Rot. Bonds6

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide (PubChem CID 63877202) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide
PubChem CID63877202
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide
SMILESCc1noc(CNC(=O)CCOC2CCNCC2)n1
InChIInChI=1S/C12H20N4O3/c1-9-15-12(19-16-9)8-14-11(17)4-7-18-10-2-5-13-6-3-10/h10,13H,2-8H2,1H3,(H,14,17)
InChIKeyHAVWASDJMUFOQL-UHFFFAOYSA-N
XLogP0.15
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide (CID 63877202) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide is Cc1noc(CNC(=O)CCOC2CCNCC2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide?
The InChIKey is HAVWASDJMUFOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9-15-12(19-16-9)8-14-11(17)4-7-18-10-2-5-13-6-3-10/h10,13H,2-8H2,1H3,(H,14,17).
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide has a molecular weight of 268.32 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-piperidin-4-yloxypropanamide is sourced from PubChem (CID 63877202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).