N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

C22H24N4O2 — CID 118712643

IUPACN-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nc(Cc3ccccc3)no2)CC1
InChIInChI=1S/C22H24N4O2/c27-22(23-16-18-9-5-2-6-10-18)26-13-11-19(12-14-26)21-24-20(25-28-21)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,23,27)
InChIKeyHUOHSBBCAXPDPK-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.75
Rot. Bonds5

About N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide

N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (PubChem CID 118712643) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
PubChem CID118712643
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(c2nc(Cc3ccccc3)no2)CC1
InChIInChI=1S/C22H24N4O2/c27-22(23-16-18-9-5-2-6-10-18)26-13-11-19(12-14-26)21-24-20(25-28-21)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,23,27)
InChIKeyHUOHSBBCAXPDPK-UHFFFAOYSA-N
XLogP3.75
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide (CID 118712643) is N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(c2nc(Cc3ccccc3)no2)CC1.
What is the InChIKey of N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
The InChIKey is HUOHSBBCAXPDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-22(23-16-18-9-5-2-6-10-18)26-13-11-19(12-14-26)21-24-20(25-28-21)15-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,23,27).
What are the key properties of N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide?
N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3-benzyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 118712643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).