(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one

C21H27FN2O3 — CID 42194351

IUPAC(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)C4(C)CC4)C3)C2=O)c1
InChIInChI=1S/C21H27FN2O3/c1-20(7-8-20)18(25)24-11-9-21(14-24)6-3-10-23(19(21)26)13-15-12-16(27-2)4-5-17(15)22/h4-5,12H,3,6-11,13-14H2,1-2H3/t21-/m1/s1
InChIKeyJVUMYOXLXFUNLZ-OAQYLSRUSA-N
MW374.46 g/mol
LogP2.98
Rot. Bonds4

About (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42194351) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42194351
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)C4(C)CC4)C3)C2=O)c1
InChIInChI=1S/C21H27FN2O3/c1-20(7-8-20)18(25)24-11-9-21(14-24)6-3-10-23(19(21)26)13-15-12-16(27-2)4-5-17(15)22/h4-5,12H,3,6-11,13-14H2,1-2H3/t21-/m1/s1
InChIKeyJVUMYOXLXFUNLZ-OAQYLSRUSA-N
XLogP2.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42298060
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25297438
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-6-oxo-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 26412671
2-(3,3-dimethylbutanoyl)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45192111
(5S)-2-[2-(diethylamino)acetyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126439610
(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26320634
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(thiophene-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42193574
7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylfuran-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45243464
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42289465
7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45224935
(5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126442122
(5R)-2-[(1,5-dimethylpyrazol-4-yl)methyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25457066

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 42194351) is (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one is COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)C4(C)CC4)C3)C2=O)c1.
What is the InChIKey of (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JVUMYOXLXFUNLZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27FN2O3/c1-20(7-8-20)18(25)24-11-9-21(14-24)6-3-10-23(19(21)26)13-15-12-16(27-2)4-5-17(15)22/h4-5,12H,3,6-11,13-14H2,1-2H3/t21-/m1/s1.
What are the key properties of (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 374.46 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42194351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).