[1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone

C17H27FN2O — CID 131684507

IUPAC[1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone
SMILESO=C(N1CCC2(CCCN2CC2CCC2)CC1)C1(F)CC1
InChIInChI=1S/C17H27FN2O/c18-17(6-7-17)15(21)19-11-8-16(9-12-19)5-2-10-20(16)13-14-3-1-4-14/h14H,1-13H2
InChIKeyOFMTTZDTPVTKSR-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.75
Rot. Bonds3

About [1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone

[1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone (PubChem CID 131684507) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is [1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone.

Molecular Properties

Compound Name[1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone
PubChem CID131684507
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name[1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone
SMILESO=C(N1CCC2(CCCN2CC2CCC2)CC1)C1(F)CC1
InChIInChI=1S/C17H27FN2O/c18-17(6-7-17)15(21)19-11-8-16(9-12-19)5-2-10-20(16)13-14-3-1-4-14/h14H,1-13H2
InChIKeyOFMTTZDTPVTKSR-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone?
The IUPAC name of [1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone (CID 131684507) is [1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone.
What is the SMILES notation for [1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone?
The canonical SMILES for [1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone is O=C(N1CCC2(CCCN2CC2CCC2)CC1)C1(F)CC1.
What is the InChIKey of [1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone?
The InChIKey is OFMTTZDTPVTKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c18-17(6-7-17)15(21)19-11-8-16(9-12-19)5-2-10-20(16)13-14-3-1-4-14/h14H,1-13H2.
What are the key properties of [1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone?
[1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone has a molecular weight of 294.41 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclobutylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(1-fluorocyclopropyl)methanone is sourced from PubChem (CID 131684507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).