(3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone

C18H25FN2O — CID 3235147

IUPAC(3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
SMILESCC(C)CN1CC2(CCN(C(=O)c3cccc(F)c3)CC2)C1
InChIInChI=1S/C18H25FN2O/c1-14(2)11-20-12-18(13-20)6-8-21(9-7-18)17(22)15-4-3-5-16(19)10-15/h3-5,10,14H,6-9,11-13H2,1-2H3
InChIKeyYTZCHJJGOSIVNU-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.02
Rot. Bonds3

About (3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone

(3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone (PubChem CID 3235147) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
PubChem CID3235147
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone
SMILESCC(C)CN1CC2(CCN(C(=O)c3cccc(F)c3)CC2)C1
InChIInChI=1S/C18H25FN2O/c1-14(2)11-20-12-18(13-20)6-8-21(9-7-18)17(22)15-4-3-5-16(19)10-15/h3-5,10,14H,6-9,11-13H2,1-2H3
InChIKeyYTZCHJJGOSIVNU-UHFFFAOYSA-N
XLogP3.02
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone (CID 3235147) is (3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone is CC(C)CN1CC2(CCN(C(=O)c3cccc(F)c3)CC2)C1.
What is the InChIKey of (3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is YTZCHJJGOSIVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-14(2)11-20-12-18(13-20)6-8-21(9-7-18)17(22)15-4-3-5-16(19)10-15/h3-5,10,14H,6-9,11-13H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone?
(3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 304.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 3235147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).