6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one

C17H21FN2O — CID 83263864

IUPAC6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(CC1CC1)N1C(=O)C2(CC2)NC1c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O/c1-11(10-12-2-3-12)20-15(13-4-6-14(18)7-5-13)19-17(8-9-17)16(20)21/h4-7,11-12,15,19H,2-3,8-10H2,1H3
InChIKeyQNAHDTBUZSQTMM-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.98
Rot. Bonds4

About 6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one

6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83263864) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83263864
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(CC1CC1)N1C(=O)C2(CC2)NC1c1ccc(F)cc1
InChIInChI=1S/C17H21FN2O/c1-11(10-12-2-3-12)20-15(13-4-6-14(18)7-5-13)19-17(8-9-17)16(20)21/h4-7,11-12,15,19H,2-3,8-10H2,1H3
InChIKeyQNAHDTBUZSQTMM-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(1-cyclopropylpropan-2-yl)-5-thiophen-3-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83257056
5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83268053
6-(1-cyclopropylpropan-2-yl)-5-(2-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83263876
6-butan-2-yl-5-(4-methylsulfanylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239589
6-butan-2-yl-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83225055
6-(2,2-difluoroethyl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83271058
5-(4-chlorophenyl)-6-(1-cyclopropylethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83244732
6-(1-ethoxypropan-2-yl)-5-(4-methylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83248467
5-(3-fluorophenyl)-6-(1-methoxypropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83239801
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143
6-(cyclopropylmethyl)-5-(4-propan-2-ylphenyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247504
6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83263091

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83263864) is 6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(CC1CC1)N1C(=O)C2(CC2)NC1c1ccc(F)cc1.
What is the InChIKey of 6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is QNAHDTBUZSQTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-11(10-12-2-3-12)20-15(13-4-6-14(18)7-5-13)19-17(8-9-17)16(20)21/h4-7,11-12,15,19H,2-3,8-10H2,1H3.
What are the key properties of 6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 288.37 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpropan-2-yl)-5-(4-fluorophenyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83263864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).