[4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone

C29H46N4O3 — CID 146290738

IUPAC[4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(c3noc(C4CCN(C5CCCCCCC5)C(C5CCOC5)C4)n3)CC2)CC1
InChIInChI=1S/C29H46N4O3/c1-29(13-14-29)28(34)32-15-9-21(10-16-32)26-30-27(36-31-26)22-11-17-33(24-7-5-3-2-4-6-8-24)25(19-22)23-12-18-35-20-23/h21-25H,2-20H2,1H3
InChIKeyPZWBVLIAZNYGEB-UHFFFAOYSA-N
MW498.71 g/mol
LogP5.27
Rot. Bonds5

About [4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone

[4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 146290738) has the molecular formula C29H46N4O3 and a molecular weight of 498.71 g/mol. Its IUPAC name is [4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
PubChem CID146290738
Molecular FormulaC29H46N4O3
Molecular Weight498.71 g/mol
Exact Mass498.36
IUPAC Name[4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone
SMILESCC1(C(=O)N2CCC(c3noc(C4CCN(C5CCCCCCC5)C(C5CCOC5)C4)n3)CC2)CC1
InChIInChI=1S/C29H46N4O3/c1-29(13-14-29)28(34)32-15-9-21(10-16-32)26-30-27(36-31-26)22-11-17-33(24-7-5-3-2-4-6-8-24)25(19-22)23-12-18-35-20-23/h21-25H,2-20H2,1H3
InChIKeyPZWBVLIAZNYGEB-UHFFFAOYSA-N
XLogP5.27
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.71
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone with MolForge

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Related Compounds

2-methyl-1-[3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]propan-1-one
CID 110876417
(1-methylcyclopropyl)-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 136514881
3-methyl-1-[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 91918755
2-methoxy-1-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 97444084
2-methoxy-1-[4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 72887314
1-[(3R)-3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 129377258
4-[5-(1-acetylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-1-cyclohexylpyrrolidin-2-one
CID 91916943
cyclobutyl-[(3R)-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 92548158
3-cyclopentyl-1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 110224458
[4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 91908029
(4-chlorophenyl)-[4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 97435789
[(2R)-1,2-dimethylpiperidin-2-yl]-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95827488

Frequently Asked Questions

What is the IUPAC name of [4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The IUPAC name of [4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (CID 146290738) is [4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.
What is the SMILES notation for [4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The canonical SMILES for [4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone is CC1(C(=O)N2CCC(c3noc(C4CCN(C5CCCCCCC5)C(C5CCOC5)C4)n3)CC2)CC1.
What is the InChIKey of [4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
The InChIKey is PZWBVLIAZNYGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H46N4O3/c1-29(13-14-29)28(34)32-15-9-21(10-16-32)26-30-27(36-31-26)22-11-17-33(24-7-5-3-2-4-6-8-24)25(19-22)23-12-18-35-20-23/h21-25H,2-20H2,1H3.
What are the key properties of [4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone?
[4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone has a molecular weight of 498.71 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[1-cyclooctyl-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone is sourced from PubChem (CID 146290738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).