N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide

C20H28N4O4 — CID 22519609

IUPACN-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1
InChIInChI=1S/C20H28N4O4/c1-3-27-14-4-11-21-19(25)16-9-12-24(13-10-16)20-22-18(23-28-20)15-5-7-17(26-2)8-6-15/h5-8,16H,3-4,9-14H2,1-2H3,(H,21,25)
InChIKeyGNUSJQJOKNDREG-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.50
Rot. Bonds9

About N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide

N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (PubChem CID 22519609) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
PubChem CID22519609
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC NameN-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
SMILESCCOCCCNC(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1
InChIInChI=1S/C20H28N4O4/c1-3-27-14-4-11-21-19(25)16-9-12-24(13-10-16)20-22-18(23-28-20)15-5-7-17(26-2)8-6-15/h5-8,16H,3-4,9-14H2,1-2H3,(H,21,25)
InChIKeyGNUSJQJOKNDREG-UHFFFAOYSA-N
XLogP2.50
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.50
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

N-[2-(4-ethoxyphenyl)ethyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519652
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 22519605
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 46257727
N-(3,5-dimethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358363
N-(3,5-dimethylphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519659
(3R)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705220
(3S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 92705221
N-butyl-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpiperidine-4-carboxamide
CID 22519562
N-(2-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519629
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[1-(4-methylbenzoyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 175941778
(3S)-N-[3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 129424366
(3R)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-3-carboxamide
CID 92886568

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide (CID 22519609) is N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is CCOCCCNC(=O)C1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
The InChIKey is GNUSJQJOKNDREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-3-27-14-4-11-21-19(25)16-9-12-24(13-10-16)20-22-18(23-28-20)15-5-7-17(26-2)8-6-15/h5-8,16H,3-4,9-14H2,1-2H3,(H,21,25).
What are the key properties of N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide?
N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide is sourced from PubChem (CID 22519609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).