1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone

C23H25FN2O2 — CID 119063833

IUPAC1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCCC4(CCNC4)C3)cc2)c1
InChIInChI=1S/C23H25FN2O2/c1-16(27)19-7-8-21(24)20(13-19)17-3-5-18(6-4-17)22(28)26-12-2-9-23(15-26)10-11-25-14-23/h3-8,13,25H,2,9-12,14-15H2,1H3
InChIKeyQDPVXWHAWFNFBT-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.91
Rot. Bonds3

About 1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone

1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone (PubChem CID 119063833) has the molecular formula C23H25FN2O2 and a molecular weight of 380.46 g/mol. Its IUPAC name is 1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone
PubChem CID119063833
Molecular FormulaC23H25FN2O2
Molecular Weight380.46 g/mol
Exact Mass380.19
IUPAC Name1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone
SMILESCC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCCC4(CCNC4)C3)cc2)c1
InChIInChI=1S/C23H25FN2O2/c1-16(27)19-7-8-21(24)20(13-19)17-3-5-18(6-4-17)22(28)26-12-2-9-23(15-26)10-11-25-14-23/h3-8,13,25H,2,9-12,14-15H2,1H3
InChIKeyQDPVXWHAWFNFBT-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl-(4-methylsulfanylphenyl)methanone
CID 102849889
(4-bromo-3-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849604
(5-chloro-2-fluorophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849841
(5-chloro-2-fluorophenyl)-(2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 117044861
2,8-diazaspiro[5.5]undecan-2-yl-(3-fluorophenyl)methanone;hydrochloride
CID 155841850
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-(2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 56741124
2,8-diazaspiro[5.5]undecan-2-yl-[4-(2,3-dihydropyrrol-1-yl)phenyl]methanone
CID 141337050
2,7-diazaspiro[4.5]decan-7-yl-[3-(dimethylamino)-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazol-4-yl]methanone;hydrochloride
CID 154916045
2,8-diazaspiro[5.5]undecan-2-yl-(3-iodophenyl)methanone
CID 102849918
(3-bromophenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849851
2,7-diazaspiro[4.5]decan-7-yl-[3-fluoro-5-(3-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)phenyl]methanone
CID 169411318

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone?
The IUPAC name of 1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone (CID 119063833) is 1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone.
What is the SMILES notation for 1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone?
The canonical SMILES for 1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone is CC(=O)c1ccc(F)c(-c2ccc(C(=O)N3CCCC4(CCNC4)C3)cc2)c1.
What is the InChIKey of 1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone?
The InChIKey is QDPVXWHAWFNFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2/c1-16(27)19-7-8-21(24)20(13-19)17-3-5-18(6-4-17)22(28)26-12-2-9-23(15-26)10-11-25-14-23/h3-8,13,25H,2,9-12,14-15H2,1H3.
What are the key properties of 1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone?
1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone has a molecular weight of 380.46 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,7-diazaspiro[4.5]decane-7-carbonyl)phenyl]-4-fluorophenyl]ethanone is sourced from PubChem (CID 119063833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).