(5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

C18H25FN2O — CID 124823612

IUPAC(5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC[C@H](C)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1
InChIInChI=1S/C18H25FN2O/c1-3-14(2)21-10-8-18(13-21)7-9-20(17(18)22)12-15-5-4-6-16(19)11-15/h4-6,11,14H,3,7-10,12-13H2,1-2H3/t14-,18-/m0/s1
InChIKeyFZCHYRPQSNRAQW-KSSFIOAISA-N
MW304.41 g/mol
LogP3.05
Rot. Bonds4

About (5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

(5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 124823612) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is (5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID124823612
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC[C@H](C)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1
InChIInChI=1S/C18H25FN2O/c1-3-14(2)21-10-8-18(13-21)7-9-20(17(18)22)12-15-5-4-6-16(19)11-15/h4-6,11,14H,3,7-10,12-13H2,1-2H3/t14-,18-/m0/s1
InChIKeyFZCHYRPQSNRAQW-KSSFIOAISA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-2-[(3-fluorophenyl)methyl]-7-methylsulfonyl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451647
(5R)-9-acetyl-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97490448
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
CID 155852318
(5R)-2-[(3-fluorophenyl)methyl]-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373884
2-[(3-fluorophenyl)methyl]-9-(3-methoxypropanoyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075130
(5S)-7-ethylsulfonyl-2-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451697
(5R)-2-[(3-methylphenyl)methyl]-7-(2-methylpropanoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451547
9-[2-(dimethylamino)acetyl]-2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855499
7-ethylsulfonyl-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131659144
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
2-[(3-fluorophenyl)methyl]-8-[(1-methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155826898

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 124823612) is (5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is CC[C@H](C)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1.
What is the InChIKey of (5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is FZCHYRPQSNRAQW-KSSFIOAISA-N. The full InChI is InChI=1S/C18H25FN2O/c1-3-14(2)21-10-8-18(13-21)7-9-20(17(18)22)12-15-5-4-6-16(19)11-15/h4-6,11,14H,3,7-10,12-13H2,1-2H3/t14-,18-/m0/s1.
What are the key properties of (5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
(5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 304.41 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[(2S)-butan-2-yl]-2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 124823612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).