(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C18H23FN2O2 — CID 97156965

IUPAC(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1=O
InChIInChI=1S/C18H23FN2O2/c1-20-11-2-9-18(17(20)23)10-12-21(13-18)16(22)8-5-14-3-6-15(19)7-4-14/h3-4,6-7H,2,5,8-13H2,1H3/t18-/m1/s1
InChIKeyFCOUOHLXDPIKPO-GOSISDBHSA-N
MW318.39 g/mol
LogP2.23
Rot. Bonds3

About (5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97156965) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is (5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97156965
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1=O
InChIInChI=1S/C18H23FN2O2/c1-20-11-2-9-18(17(20)23)10-12-21(13-18)16(22)8-5-14-3-6-15(19)7-4-14/h3-4,6-7H,2,5,8-13H2,1H3/t18-/m1/s1
InChIKeyFCOUOHLXDPIKPO-GOSISDBHSA-N
XLogP2.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3,4-difluorophenyl)acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205435
2-[4-(4-fluorophenyl)oxane-4-carbonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72848121
2-[2-(diethylamino)acetyl]-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56905387
(5S)-7-methyl-2-[2-[3-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97113122
methyl (3R)-1-[3-(4-fluorophenyl)propanoyl]-3-methylpyrrolidine-3-carboxylate
CID 97022319
(5S)-2-[2-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]acetyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 95203926
1-[3-(4-fluorophenyl)propanoyl]-4-methylpiperidine-4-carboxylic acid
CID 63123576
5,5-dimethyl-1-[2-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 72934259
3-[3-[(5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]quinazolin-4-one
CID 95201784
(5R)-7-methyl-2-[5-(methylsulfanylmethyl)furan-2-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25481006
N-cyclopentyl-1-[3-(4-fluorophenyl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 110249120
(5R)-7-methyl-2-[2-(1-methylindol-3-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42291921

Frequently Asked Questions

What is the IUPAC name of (5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 97156965) is (5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCC[C@]2(CCN(C(=O)CCc3ccc(F)cc3)C2)C1=O.
What is the InChIKey of (5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FCOUOHLXDPIKPO-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-20-11-2-9-18(17(20)23)10-12-21(13-18)16(22)8-5-14-3-6-15(19)7-4-14/h3-4,6-7H,2,5,8-13H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 318.39 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[3-(4-fluorophenyl)propanoyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97156965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).