2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile

C25H27N5O2 — CID 175864180

IUPAC2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile
SMILESCCc1cc(CC)c(-c2nnc(N)o2)cc1C(=O)N1CCC(c2ccccc2C#N)CC1
InChIInChI=1S/C25H27N5O2/c1-3-16-13-17(4-2)22(14-21(16)23-28-29-25(27)32-23)24(31)30-11-9-18(10-12-30)20-8-6-5-7-19(20)15-26/h5-8,13-14,18H,3-4,9-12H2,1-2H3,(H2,27,29)
InChIKeyJLPXDRGSSYNXOM-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.34
Rot. Bonds5

About 2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile

2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile (PubChem CID 175864180) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile.

Molecular Properties

Compound Name2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile
PubChem CID175864180
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile
SMILESCCc1cc(CC)c(-c2nnc(N)o2)cc1C(=O)N1CCC(c2ccccc2C#N)CC1
InChIInChI=1S/C25H27N5O2/c1-3-16-13-17(4-2)22(14-21(16)23-28-29-25(27)32-23)24(31)30-11-9-18(10-12-30)20-8-6-5-7-19(20)15-26/h5-8,13-14,18H,3-4,9-12H2,1-2H3,(H2,27,29)
InChIKeyJLPXDRGSSYNXOM-UHFFFAOYSA-N
XLogP4.34
TPSA109.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile?
The IUPAC name of 2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile (CID 175864180) is 2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile.
What is the SMILES notation for 2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile?
The canonical SMILES for 2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile is CCc1cc(CC)c(-c2nnc(N)o2)cc1C(=O)N1CCC(c2ccccc2C#N)CC1.
What is the InChIKey of 2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile?
The InChIKey is JLPXDRGSSYNXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-3-16-13-17(4-2)22(14-21(16)23-28-29-25(27)32-23)24(31)30-11-9-18(10-12-30)20-8-6-5-7-19(20)15-26/h5-8,13-14,18H,3-4,9-12H2,1-2H3,(H2,27,29).
What are the key properties of 2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile?
2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile has a molecular weight of 429.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(5-amino-1,3,4-oxadiazol-2-yl)-2,4-diethylbenzoyl]piperidin-4-yl]benzonitrile is sourced from PubChem (CID 175864180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).