(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one

C20H27FN2O3 — CID 42298060

IUPAC(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)C(C)C)C3)C2=O)c1
InChIInChI=1S/C20H27FN2O3/c1-14(2)18(24)23-10-8-20(13-23)7-4-9-22(19(20)25)12-15-11-16(26-3)5-6-17(15)21/h5-6,11,14H,4,7-10,12-13H2,1-3H3/t20-/m0/s1
InChIKeyWQTNQFFMHWWYMP-FQEVSTJZSA-N
MW362.45 g/mol
LogP2.83
Rot. Bonds4

About (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 42298060) has the molecular formula C20H27FN2O3 and a molecular weight of 362.45 g/mol. Its IUPAC name is (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID42298060
Molecular FormulaC20H27FN2O3
Molecular Weight362.45 g/mol
Exact Mass362.20
IUPAC Name(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)C(C)C)C3)C2=O)c1
InChIInChI=1S/C20H27FN2O3/c1-14(2)18(24)23-10-8-20(13-23)7-4-9-22(19(20)25)12-15-11-16(26-3)5-6-17(15)21/h5-6,11,14H,4,7-10,12-13H2,1-3H3/t20-/m0/s1
InChIKeyWQTNQFFMHWWYMP-FQEVSTJZSA-N
XLogP2.83
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-6-oxo-N-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 26412671
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42194351
2-(3,3-dimethylbutanoyl)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45192111
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25297438
(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
2-[[(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-2-oxopiperidin-3-yl]methylamino]-N-propan-2-ylacetamide
CID 95227140
(3R)-3-[(3,3-difluoropiperidin-1-yl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95204042
(3S)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[[methyl(2-methylpropyl)amino]methyl]piperidin-2-one
CID 95230587

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one (CID 42298060) is (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is COc1ccc(F)c(CN2CCC[C@@]3(CCN(C(=O)C(C)C)C3)C2=O)c1.
What is the InChIKey of (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WQTNQFFMHWWYMP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27FN2O3/c1-14(2)18(24)23-10-8-20(13-23)7-4-9-22(19(20)25)12-15-11-16(26-3)5-6-17(15)21/h5-6,11,14H,4,7-10,12-13H2,1-3H3/t20-/m0/s1.
What are the key properties of (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 362.45 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 42298060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).