N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide

C22H23N5O4 — CID 68686555

IUPACN-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)ccn1
InChIInChI=1S/C22H23N5O4/c1-15(28)24-19-13-16(10-11-23-19)22-25-21(26-31-22)18-9-5-6-12-27(18)20(29)14-30-17-7-3-2-4-8-17/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3,(H,23,24,28)/t18-/m1/s1
InChIKeyDVBBKVBBAJFIJW-GOSISDBHSA-N
MW421.46 g/mol
LogP3.22
Rot. Bonds6

About N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide

N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide (PubChem CID 68686555) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide
PubChem CID68686555
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC NameN-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)ccn1
InChIInChI=1S/C22H23N5O4/c1-15(28)24-19-13-16(10-11-23-19)22-25-21(26-31-22)18-9-5-6-12-27(18)20(29)14-30-17-7-3-2-4-8-17/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3,(H,23,24,28)/t18-/m1/s1
InChIKeyDVBBKVBBAJFIJW-GOSISDBHSA-N
XLogP3.22
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide (CID 68686555) is N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2nc([C@H]3CCCCN3C(=O)COc3ccccc3)no2)ccn1.
What is the InChIKey of N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide?
The InChIKey is DVBBKVBBAJFIJW-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-15(28)24-19-13-16(10-11-23-19)22-25-21(26-31-22)18-9-5-6-12-27(18)20(29)14-30-17-7-3-2-4-8-17/h2-4,7-8,10-11,13,18H,5-6,9,12,14H2,1H3,(H,23,24,28)/t18-/m1/s1.
What are the key properties of N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide?
N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide has a molecular weight of 421.46 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 68686555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).