N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide

C19H26N4O2 — CID 72865534

IUPACN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)NCc2noc(Cc3ccccc3)n2)C1
InChIInChI=1S/C19H26N4O2/c1-14(2)23-10-6-9-16(13-23)19(24)20-12-17-21-18(25-22-17)11-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,20,24)
InChIKeyUJCQFRPQFMOPAR-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.40
Rot. Bonds6

About N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide

N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide (PubChem CID 72865534) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
PubChem CID72865534
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)N1CCCC(C(=O)NCc2noc(Cc3ccccc3)n2)C1
InChIInChI=1S/C19H26N4O2/c1-14(2)23-10-6-9-16(13-23)19(24)20-12-17-21-18(25-22-17)11-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,20,24)
InChIKeyUJCQFRPQFMOPAR-UHFFFAOYSA-N
XLogP2.40
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide (CID 72865534) is N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide is CC(C)N1CCCC(C(=O)NCc2noc(Cc3ccccc3)n2)C1.
What is the InChIKey of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is UJCQFRPQFMOPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)23-10-6-9-16(13-23)19(24)20-12-17-21-18(25-22-17)11-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,20,24).
What are the key properties of N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide?
N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,2,4-oxadiazol-3-yl)methyl]-1-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 72865534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).