cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone

C21H36N4O3 — CID 148941330

IUPACcyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(C2NOC(C3CCNC(C4CCOC4)C3)N2)CC1
InChIInChI=1S/C21H36N4O3/c26-21(15-2-1-3-15)25-9-5-14(6-10-25)19-23-20(28-24-19)16-4-8-22-18(12-16)17-7-11-27-13-17/h14-20,22-24H,1-13H2
InChIKeyVJGIXZPMKOAFLI-UHFFFAOYSA-N
MW392.54 g/mol
LogP1.21
Rot. Bonds4

About cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone

cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone (PubChem CID 148941330) has the molecular formula C21H36N4O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
PubChem CID148941330
Molecular FormulaC21H36N4O3
Molecular Weight392.54 g/mol
Exact Mass392.28
IUPAC Namecyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(C2NOC(C3CCNC(C4CCOC4)C3)N2)CC1
InChIInChI=1S/C21H36N4O3/c26-21(15-2-1-3-15)25-9-5-14(6-10-25)19-23-20(28-24-19)16-4-8-22-18(12-16)17-7-11-27-13-17/h14-20,22-24H,1-13H2
InChIKeyVJGIXZPMKOAFLI-UHFFFAOYSA-N
XLogP1.21
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[5-[5-fluoro-2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidine-1-carboxylate
CID 154626016
cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
CID 155066861
2-methyl-1-[4-[5-[2-(oxetan-3-ylamino)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]propan-1-one
CID 142573497
[(3aS,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(oxan-3-yl)methanone
CID 62760319
cyclopentyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259153
oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 167312068
[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-(oxan-4-yl)methanone
CID 102679573
1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl(oxan-3-yl)methanone
CID 102680401
3-(5-cyclopropyl-1,2,4-oxadiazolidin-3-yl)cyclohexane-1-carboxylic acid
CID 177099597
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone
CID 70649001
cyclobutyl-[4-[2-(oxolan-3-yl)ethyl]piperazin-1-yl]methanone
CID 131899076

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone (CID 148941330) is cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(C2NOC(C3CCNC(C4CCOC4)C3)N2)CC1.
What is the InChIKey of cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone?
The InChIKey is VJGIXZPMKOAFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O3/c26-21(15-2-1-3-15)25-9-5-14(6-10-25)19-23-20(28-24-19)16-4-8-22-18(12-16)17-7-11-27-13-17/h14-20,22-24H,1-13H2.
What are the key properties of cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone?
cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone has a molecular weight of 392.54 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 148941330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).