(5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C17H21FN2O2 — CID 97490448

IUPAC(5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCC(=O)N1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1
InChIInChI=1S/C17H21FN2O2/c1-13(21)20-8-3-6-17(12-20)7-9-19(16(17)22)11-14-4-2-5-15(18)10-14/h2,4-5,10H,3,6-9,11-12H2,1H3/t17-/m1/s1
InChIKeyLJVYTTKDEDGMOX-QGZVFWFLSA-N
MW304.36 g/mol
LogP2.19
Rot. Bonds2

About (5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one

(5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97490448) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is (5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97490448
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name(5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCC(=O)N1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1
InChIInChI=1S/C17H21FN2O2/c1-13(21)20-8-3-6-17(12-20)7-9-19(16(17)22)11-14-4-2-5-15(18)10-14/h2,4-5,10H,3,6-9,11-12H2,1H3/t17-/m1/s1
InChIKeyLJVYTTKDEDGMOX-QGZVFWFLSA-N
XLogP2.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-fluorophenyl)methyl]-9-(3-methoxypropanoyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075130
9-[2-(dimethylamino)acetyl]-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855499
(5R)-2-[(3-fluorophenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451647
(5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 124823612
2-(cyclopropanecarbonyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45245252
(5S)-7-[(3-methoxyphenyl)methyl]-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
CID 42154935
2-butanoyl-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45179241
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
CID 155852318
(5R)-2-[(3-methylphenyl)methyl]-7-(2-methylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451547
(5R)-2-[(3-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373884
2-(3-methylbutanoyl)-7-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45198587
2-[(3-methylphenyl)methyl]-7-(3,3,3-trifluoropropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131642620

Frequently Asked Questions

What is the IUPAC name of (5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 97490448) is (5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is CC(=O)N1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1.
What is the InChIKey of (5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is LJVYTTKDEDGMOX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-13(21)20-8-3-6-17(12-20)7-9-19(16(17)22)11-14-4-2-5-15(18)10-14/h2,4-5,10H,3,6-9,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
(5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 304.36 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97490448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).