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

C20H23ClN4O3 — CID 3582952

IUPACN-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(C)=O
InChIInChI=1S/C20H23ClN4O3/c1-3-10-24(14(2)26)13-18(27)25-11-5-4-9-17(25)20-22-19(23-28-20)15-7-6-8-16(21)12-15/h3,6-8,12,17H,1,4-5,9-11,13H2,2H3
InChIKeyBGQADZZMCLXPGT-UHFFFAOYSA-N
MW402.88 g/mol
LogP3.48
Rot. Bonds6

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

N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide (PubChem CID 3582952) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide
PubChem CID3582952
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC NameN-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(C)=O
InChIInChI=1S/C20H23ClN4O3/c1-3-10-24(14(2)26)13-18(27)25-11-5-4-9-17(25)20-22-19(23-28-20)15-7-6-8-16(21)12-15/h3,6-8,12,17H,1,4-5,9-11,13H2,2H3
InChIKeyBGQADZZMCLXPGT-UHFFFAOYSA-N
XLogP3.48
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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]-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
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
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methoxyethanone
CID 42760502
N-butyl-N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]hexanamide
CID 3353800
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
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
1-[(2R)-2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 95116595
1-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 53206168

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide (CID 3582952) is N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide is C=CCN(CC(=O)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1)C(C)=O.
What is the InChIKey of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide?
The InChIKey is BGQADZZMCLXPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-3-10-24(14(2)26)13-18(27)25-11-5-4-9-17(25)20-22-19(23-28-20)15-7-6-8-16(21)12-15/h3,6-8,12,17H,1,4-5,9-11,13H2,2H3.
What are the key properties of N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide?
N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide has a molecular weight of 402.88 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 3582952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).