1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide

C21H25ClN6O2 — CID 43933847

IUPAC1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCCN(Cc2nc(-c3ccccc3Cl)no2)C1
InChIInChI=1S/C21H25ClN6O2/c22-18-7-2-1-6-17(18)20-25-19(30-26-20)14-28-10-3-5-16(13-28)21(29)24-8-4-11-27-12-9-23-15-27/h1-2,6-7,9,12,15-16H,3-5,8,10-11,13-14H2,(H,24,29)
InChIKeyGOBVYMZPOYBSSO-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.01
Rot. Bonds8

About 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 43933847) has the molecular formula C21H25ClN6O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
PubChem CID43933847
Molecular FormulaC21H25ClN6O2
Molecular Weight428.92 g/mol
Exact Mass428.17
IUPAC Name1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCCn1ccnc1)C1CCCN(Cc2nc(-c3ccccc3Cl)no2)C1
InChIInChI=1S/C21H25ClN6O2/c22-18-7-2-1-6-17(18)20-25-19(30-26-20)14-28-10-3-5-16(13-28)21(29)24-8-4-11-27-12-9-23-15-27/h1-2,6-7,9,12,15-16H,3-5,8,10-11,13-14H2,(H,24,29)
InChIKeyGOBVYMZPOYBSSO-UHFFFAOYSA-N
XLogP3.01
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 43933885
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pentylpiperidine-3-carboxamide
CID 43933796
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 43933910
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43933632
N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43933973
N-(3-imidazol-1-ylpropyl)-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925978
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929842
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 43933746
N-(3-imidazol-1-ylpropyl)-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925980
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43933707
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 43933934
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43934018

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide (CID 43933847) is 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide is O=C(NCCCn1ccnc1)C1CCCN(Cc2nc(-c3ccccc3Cl)no2)C1.
What is the InChIKey of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is GOBVYMZPOYBSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN6O2/c22-18-7-2-1-6-17(18)20-25-19(30-26-20)14-28-10-3-5-16(13-28)21(29)24-8-4-11-27-12-9-23-15-27/h1-2,6-7,9,12,15-16H,3-5,8,10-11,13-14H2,(H,24,29).
What are the key properties of 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide?
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-imidazol-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 43933847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).