piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone

C20H29N3O3 — CID 119043229

IUPACpiperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCC3(CC2)CC3C(=O)N2CCCCC2)no1
InChIInChI=1S/C20H29N3O3/c1-14(2)17-12-16(21-26-17)19(25)23-10-6-20(7-11-23)13-15(20)18(24)22-8-4-3-5-9-22/h12,14-15H,3-11,13H2,1-2H3
InChIKeyQTRKFPSGXNVYDD-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.05
Rot. Bonds3

About piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone

piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone (PubChem CID 119043229) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone
PubChem CID119043229
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Namepiperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCC3(CC2)CC3C(=O)N2CCCCC2)no1
InChIInChI=1S/C20H29N3O3/c1-14(2)17-12-16(21-26-17)19(25)23-10-6-20(7-11-23)13-15(20)18(24)22-8-4-3-5-9-22/h12,14-15H,3-11,13H2,1-2H3
InChIKeyQTRKFPSGXNVYDD-UHFFFAOYSA-N
XLogP3.05
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-propan-2-ylazepan-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 119043032
[(5S)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 97454136
[4-(1-adamantyl)piperazin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 56904026
N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841
6-(5-methyl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136491
[(2S,3S)-5-(5-methylpyrazine-2-carbonyl)-5-azaspiro[2.4]heptan-2-yl]-pyrrolidin-1-ylmethanone
CID 97492777
[(4aS,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 124860723
[3-(difluoromethyl)-3-hydroxypyrrolidin-1-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 154775772
(3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95868038
[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 163315098
(4-methylsulfonylpiperazin-1-yl)-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 75538104
[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-pyridin-3-ylmethanone
CID 70779809

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone?
The IUPAC name of piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone (CID 119043229) is piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone.
What is the SMILES notation for piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone?
The canonical SMILES for piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone is CC(C)c1cc(C(=O)N2CCC3(CC2)CC3C(=O)N2CCCCC2)no1.
What is the InChIKey of piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone?
The InChIKey is QTRKFPSGXNVYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)17-12-16(21-26-17)19(25)23-10-6-20(7-11-23)13-15(20)18(24)22-8-4-3-5-9-22/h12,14-15H,3-11,13H2,1-2H3.
What are the key properties of piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone?
piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[6-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]methanone is sourced from PubChem (CID 119043229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).