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N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide

C29H36N4O2 — CID 139993480

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NC(CCN1CCC(c2nnc(Cc3ccccc3)o2)CC1)c1ccccc1
InChIInChI=1S/C29H36N4O2/c34-27(20-22-10-7-11-22)30-26(24-12-5-2-6-13-24)16-19-33-17-14-25(15-18-33)29-32-31-28(35-29)21-23-8-3-1-4-9-23/h1-6,8-9,12-13,22,25-26H,7,10-11,14-21H2,(H,30,34)
InChIKeyKSTVGLWMGMOIPL-UHFFFAOYSA-N
MW472.63 g/mol
LogP5.28
Rot. Bonds10

About N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide

N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide (PubChem CID 139993480) has the molecular formula C29H36N4O2 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide
PubChem CID139993480
Molecular FormulaC29H36N4O2
Molecular Weight472.63 g/mol
Exact Mass472.28
IUPAC NameN-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide
SMILESO=C(CC1CCC1)NC(CCN1CCC(c2nnc(Cc3ccccc3)o2)CC1)c1ccccc1
InChIInChI=1S/C29H36N4O2/c34-27(20-22-10-7-11-22)30-26(24-12-5-2-6-13-24)16-19-33-17-14-25(15-18-33)29-32-31-28(35-29)21-23-8-3-1-4-9-23/h1-6,8-9,12-13,22,25-26H,7,10-11,14-21H2,(H,30,34)
InChIKeyKSTVGLWMGMOIPL-UHFFFAOYSA-N
XLogP5.28
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.63
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide?
The IUPAC name of N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide (CID 139993480) is N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide.
What is the SMILES notation for N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide?
The canonical SMILES for N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide is O=C(CC1CCC1)NC(CCN1CCC(c2nnc(Cc3ccccc3)o2)CC1)c1ccccc1.
What is the InChIKey of N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide?
The InChIKey is KSTVGLWMGMOIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O2/c34-27(20-22-10-7-11-22)30-26(24-12-5-2-6-13-24)16-19-33-17-14-25(15-18-33)29-32-31-28(35-29)21-23-8-3-1-4-9-23/h1-6,8-9,12-13,22,25-26H,7,10-11,14-21H2,(H,30,34).
What are the key properties of N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide?
N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide has a molecular weight of 472.63 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(5-benzyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide is sourced from PubChem (CID 139993480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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