8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one

C20H32FN3O2 — CID 170592431

IUPAC8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one
SMILESCCCC1=NC2(CCCN(C(=O)C3(F)CCCC3)C2)CC(=O)N1C(C)C
InChIInChI=1S/C20H32FN3O2/c1-4-8-16-22-19(13-17(25)24(16)15(2)3)9-7-12-23(14-19)18(26)20(21)10-5-6-11-20/h15H,4-14H2,1-3H3
InChIKeyHODABQHLVGBYKP-UHFFFAOYSA-N
MW365.49 g/mol
LogP3.47
Rot. Bonds4

About 8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one

8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one (PubChem CID 170592431) has the molecular formula C20H32FN3O2 and a molecular weight of 365.49 g/mol. Its IUPAC name is 8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one.

Molecular Properties

Compound Name8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one
PubChem CID170592431
Molecular FormulaC20H32FN3O2
Molecular Weight365.49 g/mol
Exact Mass365.25
IUPAC Name8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one
SMILESCCCC1=NC2(CCCN(C(=O)C3(F)CCCC3)C2)CC(=O)N1C(C)C
InChIInChI=1S/C20H32FN3O2/c1-4-8-16-22-19(13-17(25)24(16)15(2)3)9-7-12-23(14-19)18(26)20(21)10-5-6-11-20/h15H,4-14H2,1-3H3
InChIKeyHODABQHLVGBYKP-UHFFFAOYSA-N
XLogP3.47
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Butyl-3-ethyl-8-(2-fluoro-2-methylpropanoyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592013
9-(Cyclopentanecarbonyl)-3-propan-2-yl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170592042
2-Butyl-3-propan-2-yl-8-[4-(trifluoromethyl)cyclohexanecarbonyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592055
2-Butyl-8-(2,2-difluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592065
9-(Cyclopentanecarbonyl)-3-ethyl-2-(3,3,3-trifluoropropyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170592091
3-Ethyl-9-(1-fluorocyclopentanecarbonyl)-2-propyl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170592133
2-Butyl-8-(4,4-difluorocyclohexyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592255
2-Butyl-9-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170592381
9-(1-Fluorocyclopropanecarbonyl)-3-propan-2-yl-2-propyl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170592401
2-Butyl-3-propan-2-yl-9-(3,3,3-trifluoropropanoyl)-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 170592402
2-Butyl-8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592420
2-Butyl-8-(3-fluoropropanoyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 170592472

Frequently Asked Questions

What is the IUPAC name of 8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one?
The IUPAC name of 8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one (CID 170592431) is 8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one.
What is the SMILES notation for 8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one?
The canonical SMILES for 8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one is CCCC1=NC2(CCCN(C(=O)C3(F)CCCC3)C2)CC(=O)N1C(C)C.
What is the InChIKey of 8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one?
The InChIKey is HODABQHLVGBYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN3O2/c1-4-8-16-22-19(13-17(25)24(16)15(2)3)9-7-12-23(14-19)18(26)20(21)10-5-6-11-20/h15H,4-14H2,1-3H3.
What are the key properties of 8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one?
8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one has a molecular weight of 365.49 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-fluorocyclopentanecarbonyl)-3-propan-2-yl-2-propyl-1,3,8-triazaspiro[5.5]undec-1-en-4-one is sourced from PubChem (CID 170592431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).