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

C30H35N5O2 — CID 139993442

IUPACN-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide
SMILESN#CC1(c2nc(Cc3ccccc3)no2)CCN(CC[C@H](NC(=O)CC2CCC2)c2ccccc2)CC1
InChIInChI=1S/C30H35N5O2/c31-22-30(29-33-27(34-37-29)20-23-8-3-1-4-9-23)15-18-35(19-16-30)17-14-26(25-12-5-2-6-13-25)32-28(36)21-24-10-7-11-24/h1-6,8-9,12-13,24,26H,7,10-11,14-21H2,(H,32,36)/t26-/m0/s1
InChIKeyJIQQWILAXVLQJH-SANMLTNESA-N
MW497.64 g/mol
LogP4.96
Rot. Bonds10

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

N-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide (PubChem CID 139993442) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide.

Molecular Properties

Compound NameN-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide
PubChem CID139993442
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC NameN-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide
SMILESN#CC1(c2nc(Cc3ccccc3)no2)CCN(CC[C@H](NC(=O)CC2CCC2)c2ccccc2)CC1
InChIInChI=1S/C30H35N5O2/c31-22-30(29-33-27(34-37-29)20-23-8-3-1-4-9-23)15-18-35(19-16-30)17-14-26(25-12-5-2-6-13-25)32-28(36)21-24-10-7-11-24/h1-6,8-9,12-13,24,26H,7,10-11,14-21H2,(H,32,36)/t26-/m0/s1
InChIKeyJIQQWILAXVLQJH-SANMLTNESA-N
XLogP4.96
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.64
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide?
The IUPAC name of N-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide (CID 139993442) is N-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide.
What is the SMILES notation for N-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide?
The canonical SMILES for N-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide is N#CC1(c2nc(Cc3ccccc3)no2)CCN(CC[C@H](NC(=O)CC2CCC2)c2ccccc2)CC1.
What is the InChIKey of N-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide?
The InChIKey is JIQQWILAXVLQJH-SANMLTNESA-N. The full InChI is InChI=1S/C30H35N5O2/c31-22-30(29-33-27(34-37-29)20-23-8-3-1-4-9-23)15-18-35(19-16-30)17-14-26(25-12-5-2-6-13-25)32-28(36)21-24-10-7-11-24/h1-6,8-9,12-13,24,26H,7,10-11,14-21H2,(H,32,36)/t26-/m0/s1.
What are the key properties of N-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide?
N-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide has a molecular weight of 497.64 g/mol, XLogP of 4.96, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[4-(3-benzyl-1,2,4-oxadiazol-5-yl)-4-cyanopiperidin-1-yl]-1-phenylpropyl]-2-cyclobutylacetamide is sourced from PubChem (CID 139993442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).