2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide

C26H26Cl2N4O3 — CID 4618288

IUPAC2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C26H26Cl2N4O3/c1-2-14-31(26(34)23(28)18-9-4-3-5-10-18)17-22(33)32-15-7-6-13-21(32)25-29-24(30-35-25)19-11-8-12-20(27)16-19/h2-5,8-12,16,21,23H,1,6-7,13-15,17H2
InChIKeyNMKPXTQDTZHZBI-UHFFFAOYSA-N
MW513.43 g/mol
LogP5.44
Rot. Bonds8

About 2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide

2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide (PubChem CID 4618288) has the molecular formula C26H26Cl2N4O3 and a molecular weight of 513.43 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide
PubChem CID4618288
Molecular FormulaC26H26Cl2N4O3
Molecular Weight513.43 g/mol
Exact Mass512.14
IUPAC Name2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(=O)C(Cl)c1ccccc1
InChIInChI=1S/C26H26Cl2N4O3/c1-2-14-31(26(34)23(28)18-9-4-3-5-10-18)17-22(33)32-15-7-6-13-21(32)25-29-24(30-35-25)19-11-8-12-20(27)16-19/h2-5,8-12,16,21,23H,1,6-7,13-15,17H2
InChIKeyNMKPXTQDTZHZBI-UHFFFAOYSA-N
XLogP5.44
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.43
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-prop-2-enylpropanamide
CID 3582947
N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide
CID 3582952
N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-dimethyl-N-prop-2-enylpropanamide
CID 42767306
N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
CID 4142918
N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2,2-diphenyl-N-propan-2-ylacetamide
CID 42766080
N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide
CID 3353800
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 42760502
1-[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 813041
[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813048
[(2S)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 813050
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-cyclopentylpropan-1-one
CID 42765254
(3-chlorophenyl)-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 42760612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide?
The IUPAC name of 2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide (CID 4618288) is 2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide is C=CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(=O)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide?
The InChIKey is NMKPXTQDTZHZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O3/c1-2-14-31(26(34)23(28)18-9-4-3-5-10-18)17-22(33)32-15-7-6-13-21(32)25-29-24(30-35-25)19-11-8-12-20(27)16-19/h2-5,8-12,16,21,23H,1,6-7,13-15,17H2.
What are the key properties of 2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide?
2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide has a molecular weight of 513.43 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenyl-N-prop-2-enylacetamide is sourced from PubChem (CID 4618288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).