8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one

C18H23FN2O2 — CID 50985529

IUPAC8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)CCCc3ccc(F)cc3)CC2)CN1
InChIInChI=1S/C18H23FN2O2/c19-15-6-4-14(5-7-15)2-1-3-17(23)21-10-8-18(9-11-21)12-16(22)20-13-18/h4-7H,1-3,8-13H2,(H,20,22)
InChIKeyUBIJHPPSDLMWGE-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.28
Rot. Bonds4

About 8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one

8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50985529) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50985529
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)CCCc3ccc(F)cc3)CC2)CN1
InChIInChI=1S/C18H23FN2O2/c19-15-6-4-14(5-7-15)2-1-3-17(23)21-10-8-18(9-11-21)12-16(22)20-13-18/h4-7H,1-3,8-13H2,(H,20,22)
InChIKeyUBIJHPPSDLMWGE-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
1-(1,4-diazepan-1-yl)-4-(4-fluorophenyl)butan-1-one
CID 82091540
4-(4-fluorophenyl)-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
CID 72926830
4-(4-fluorophenyl)-1-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]butan-1-one
CID 97150225
1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-4-(4-fluorophenyl)butan-1-one
CID 110308630
(3S,4S)-1-[4-(4-fluorophenyl)butanoyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135119662
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
tert-butyl 4-[4-(4-fluorophenyl)butanoyl]piperazine-1-carboxylate
CID 110312062
3-(4-fluorophenyl)-1-(4-methylidenepiperidin-1-yl)propan-1-one
CID 70307419
8-(3-fluoro-2-methoxybenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 50969847
8-[(3R)-3-(2-methylphenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 124889743
8-(2-bromo-3-fluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 81499414

Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one (CID 50985529) is 8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)CCCc3ccc(F)cc3)CC2)CN1.
What is the InChIKey of 8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is UBIJHPPSDLMWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c19-15-6-4-14(5-7-15)2-1-3-17(23)21-10-8-18(9-11-21)12-16(22)20-13-18/h4-7H,1-3,8-13H2,(H,20,22).
What are the key properties of 8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 318.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-fluorophenyl)butanoyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50985529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).