N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide

C24H34N4O3 — CID 43930217

IUPACN-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2noc(CN3CCCC(C(=O)NCCCOC4CCCC4)C3)n2)c1
InChIInChI=1S/C24H34N4O3/c1-18-7-4-8-19(15-18)23-26-22(31-27-23)17-28-13-5-9-20(16-28)24(29)25-12-6-14-30-21-10-2-3-11-21/h4,7-8,15,20-21H,2-3,5-6,9-14,16-17H2,1H3,(H,25,29)
InChIKeyAIWBXDKEMTUGMM-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.72
Rot. Bonds9

About N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide

N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (PubChem CID 43930217) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
PubChem CID43930217
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC NameN-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2noc(CN3CCCC(C(=O)NCCCOC4CCCC4)C3)n2)c1
InChIInChI=1S/C24H34N4O3/c1-18-7-4-8-19(15-18)23-26-22(31-27-23)17-28-13-5-9-20(16-28)24(29)25-12-6-14-30-21-10-2-3-11-21/h4,7-8,15,20-21H,2-3,5-6,9-14,16-17H2,1H3,(H,25,29)
InChIKeyAIWBXDKEMTUGMM-UHFFFAOYSA-N
XLogP3.72
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(3-cyclohexyloxypropyl)piperidine-3-carboxamide
CID 43932281
N-[2-(dimethylamino)ethyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930134
N-[3-(4-fluorophenyl)propyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930118
N-[(2-methylphenyl)methyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929942
N-butyl-1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43934210
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929866
N-(4-acetamidophenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930027
N-(4-methoxyphenyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929907
[1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 43929878
N-[2-(2-chlorophenoxy)ethyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930711
N-[3-(azepan-1-yl)propyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38140624
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-3-carboxamide
CID 43934393

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide (CID 43930217) is N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is Cc1cccc(-c2noc(CN3CCCC(C(=O)NCCCOC4CCCC4)C3)n2)c1.
What is the InChIKey of N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
The InChIKey is AIWBXDKEMTUGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-18-7-4-8-19(15-18)23-26-22(31-27-23)17-28-13-5-9-20(16-28)24(29)25-12-6-14-30-21-10-2-3-11-21/h4,7-8,15,20-21H,2-3,5-6,9-14,16-17H2,1H3,(H,25,29).
What are the key properties of N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide?
N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxypropyl)-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43930217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).