pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate

C19H26N4O4 — CID 11749160

IUPACpentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
SMILESCCCCCOC(=O)N1CCC(OCc2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C19H26N4O4/c1-2-3-4-13-25-19(24)23-11-7-16(8-12-23)26-14-17-21-18(22-27-17)15-5-9-20-10-6-15/h5-6,9-10,16H,2-4,7-8,11-14H2,1H3
InChIKeyWCPLTENBUOOQIQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.44
Rot. Bonds8

About pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate

pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate (PubChem CID 11749160) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namepentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
PubChem CID11749160
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Namepentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
SMILESCCCCCOC(=O)N1CCC(OCc2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C19H26N4O4/c1-2-3-4-13-25-19(24)23-11-7-16(8-12-23)26-14-17-21-18(22-27-17)15-5-9-20-10-6-15/h5-6,9-10,16H,2-4,7-8,11-14H2,1H3
InChIKeyWCPLTENBUOOQIQ-UHFFFAOYSA-N
XLogP3.44
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2,2-dimethyl-1-[4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]propan-1-one
CID 11175343
(4-methoxycarbonylphenyl) 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate
CID 11464779
propan-2-yl 4-[[3-(4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
CID 58022689
cyclobutyl-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]methanone
CID 71687042
5-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 87053188
5-[[1-(furan-3-ylmethyl)piperidin-4-yl]oxymethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 155900360
1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 163338624
4-[[3-(2-methoxypyrimidin-5-yl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid
CID 68785103
2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]ethanone
CID 163339527
tert-butyl 4-[[3-(3-ethenyl-4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate;ethane
CID 143388078
butyl 4-(2-methylimidazol-1-yl)piperidine-1-carboxylate
CID 68589502
tert-butyl 4-[[3-(3-methoxy-4-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate
CID 58022787

Frequently Asked Questions

What is the IUPAC name of pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate?
The IUPAC name of pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate (CID 11749160) is pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate is CCCCCOC(=O)N1CCC(OCc2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate?
The InChIKey is WCPLTENBUOOQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-2-3-4-13-25-19(24)23-11-7-16(8-12-23)26-14-17-21-18(22-27-17)15-5-9-20-10-6-15/h5-6,9-10,16H,2-4,7-8,11-14H2,1H3.
What are the key properties of pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate?
pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate has a molecular weight of 374.44 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 11749160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).