cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone

C30H53N5O3 — CID 155066861

IUPACcyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(C2NOC(C3CC4(CCCCCCCCC4)CC(N4CCOCC4)N3)N2)CC1
InChIInChI=1S/C30H53N5O3/c36-29(24-9-8-10-24)35-15-11-23(12-16-35)27-32-28(38-33-27)25-21-30(13-6-4-2-1-3-5-7-14-30)22-26(31-25)34-17-19-37-20-18-34/h23-28,31-33H,1-22H2
InChIKeyAAPCWRCGCAPNIO-UHFFFAOYSA-N
MW531.79 g/mol
LogP3.72
Rot. Bonds4

About cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone

cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone (PubChem CID 155066861) has the molecular formula C30H53N5O3 and a molecular weight of 531.79 g/mol. Its IUPAC name is cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
PubChem CID155066861
Molecular FormulaC30H53N5O3
Molecular Weight531.79 g/mol
Exact Mass531.41
IUPAC Namecyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(C2NOC(C3CC4(CCCCCCCCC4)CC(N4CCOCC4)N3)N2)CC1
InChIInChI=1S/C30H53N5O3/c36-29(24-9-8-10-24)35-15-11-23(12-16-35)27-32-28(38-33-27)25-21-30(13-6-4-2-1-3-5-7-14-30)22-26(31-25)34-17-19-37-20-18-34/h23-28,31-33H,1-22H2
InChIKeyAAPCWRCGCAPNIO-UHFFFAOYSA-N
XLogP3.72
TPSA78.10 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.79
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

cyclobutyl-[4-[5-[2-(oxolan-3-yl)piperidin-4-yl]-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone
CID 148941330
(1,1-dioxothian-4-yl)-morpholin-4-ylmethanone
CID 110849366
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380
oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 167312068
cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 164635363
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
cyclobutyl(2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 83708252
[(3R)-3-(3-azaspiro[5.5]undecane-3-carbonyl)piperidin-1-yl]-cyclopropylmethanone
CID 97080385
(1-methyl-1,9-diazaspiro[5.5]undecan-9-yl)-(oxan-4-yl)methanone
CID 97399383
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
(4-methylpiperidin-1-yl)-(oxan-4-yl)methanone
CID 78803278
cyclohexyl(1,3-oxazolidin-3-yl)methanone
CID 110739939

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of 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) is cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(C2NOC(C3CC4(CCCCCCCCC4)CC(N4CCOCC4)N3)N2)CC1.
What is the InChIKey of cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone?
The InChIKey is AAPCWRCGCAPNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53N5O3/c36-29(24-9-8-10-24)35-15-11-23(12-16-35)27-32-28(38-33-27)25-21-30(13-6-4-2-1-3-5-7-14-30)22-26(31-25)34-17-19-37-20-18-34/h23-28,31-33H,1-22H2.
What are the key properties of cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone?
cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone has a molecular weight of 531.79 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[5-(4-morpholin-4-yl-3-azaspiro[5.9]pentadecan-2-yl)-1,2,4-oxadiazolidin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 155066861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).