(1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone

C17H29FN2O2 — CID 131685131

IUPAC(1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone
SMILESCC(C)N1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1
InChIInChI=1S/C17H29FN2O2/c1-14(2)20-10-11-22-13-16(12-20)6-8-19(9-7-16)15(21)17(18)4-3-5-17/h14H,3-13H2,1-2H3
InChIKeyDDRITPGABQDOGP-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.23
Rot. Bonds2

About (1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone

(1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone (PubChem CID 131685131) has the molecular formula C17H29FN2O2 and a molecular weight of 312.43 g/mol. Its IUPAC name is (1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone.

Molecular Properties

Compound Name(1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone
PubChem CID131685131
Molecular FormulaC17H29FN2O2
Molecular Weight312.43 g/mol
Exact Mass312.22
IUPAC Name(1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone
SMILESCC(C)N1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1
InChIInChI=1S/C17H29FN2O2/c1-14(2)20-10-11-22-13-16(12-20)6-8-19(9-7-16)15(21)17(18)4-3-5-17/h14H,3-13H2,1-2H3
InChIKeyDDRITPGABQDOGP-UHFFFAOYSA-N
XLogP2.23
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-propan-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 90348092
[(2R)-oxolan-2-yl]-[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 124822752
ethane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 158223756
(1-fluorocyclobutyl)-piperidin-1-ylmethanone
CID 126992878
ethane;9-propan-2-yl-2-oxa-9-azaspiro[5.5]undecane
CID 176693659
ethane;2-propan-2-yl-2-azaspiro[4.5]decane;2-propan-2-yl-2-azaspiro[4.4]nonane;2-propan-2-yl-8-oxa-2-azaspiro[4.5]decane;7-propan-2-yl-2-oxa-7-azaspiro[3.4]octane
CID 167593121
2,2-difluoro-6-propan-2-yl-6-azaspiro[3.4]octane;ethane
CID 170740276
(3-methyl-1,2-oxazol-4-yl)-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072732
(2,2-difluorocyclopropyl)-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)methanone
CID 171415579
[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 97494398
1-[(5S)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]cyclopropane-1-carboxylic acid
CID 99700305
1H-indol-2-yl-(11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155855375

Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone?
The IUPAC name of (1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone (CID 131685131) is (1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone.
What is the SMILES notation for (1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone?
The canonical SMILES for (1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone is CC(C)N1CCOCC2(CCN(C(=O)C3(F)CCC3)CC2)C1.
What is the InChIKey of (1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone?
The InChIKey is DDRITPGABQDOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29FN2O2/c1-14(2)20-10-11-22-13-16(12-20)6-8-19(9-7-16)15(21)17(18)4-3-5-17/h14H,3-13H2,1-2H3.
What are the key properties of (1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone?
(1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone has a molecular weight of 312.43 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclobutyl)-(11-propan-2-yl-8-oxa-3,11-diazaspiro[5.6]dodecan-3-yl)methanone is sourced from PubChem (CID 131685131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).