(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

C23H31FN2O3 — CID 25297438

IUPAC(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CCC4(C)CC4)C3)C2=O)c1
InChIInChI=1S/C23H31FN2O3/c1-22(9-10-22)8-6-20(27)26-13-11-23(16-26)7-3-12-25(21(23)28)15-17-14-18(29-2)4-5-19(17)24/h4-5,14H,3,6-13,15-16H2,1-2H3/t23-/m1/s1
InChIKeyPRIJARXHDVXTIX-HSZRJFAPSA-N
MW402.51 g/mol
LogP3.76
Rot. Bonds6

About (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 25297438) has the molecular formula C23H31FN2O3 and a molecular weight of 402.51 g/mol. Its IUPAC name is (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID25297438
Molecular FormulaC23H31FN2O3
Molecular Weight402.51 g/mol
Exact Mass402.23
IUPAC Name(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CCC4(C)CC4)C3)C2=O)c1
InChIInChI=1S/C23H31FN2O3/c1-22(9-10-22)8-6-20(27)26-13-11-23(16-26)7-3-12-25(21(23)28)15-17-14-18(29-2)4-5-19(17)24/h4-5,14H,3,6-13,15-16H2,1-2H3/t23-/m1/s1
InChIKeyPRIJARXHDVXTIX-HSZRJFAPSA-N
XLogP3.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(1-methylcyclopropanecarbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42194351
(5S)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(2-methylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42298060
(5S)-2-[2-(diethylamino)acetyl]-7-[(2-fluoro-5-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126439610
(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-(5-methyl-1H-pyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42289465
(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
(5S)-7-[(2-fluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25370197
(5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126451477
(5R)-7-[(3,4-difluorophenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25459558

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one (CID 25297438) is (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is COc1ccc(F)c(CN2CCC[C@]3(CCN(C(=O)CCC4(C)CC4)C3)C2=O)c1.
What is the InChIKey of (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is PRIJARXHDVXTIX-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H31FN2O3/c1-22(9-10-22)8-6-20(27)26-13-11-23(16-26)7-3-12-25(21(23)28)15-17-14-18(29-2)4-5-19(17)24/h4-5,14H,3,6-13,15-16H2,1-2H3/t23-/m1/s1.
What are the key properties of (5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-[(2-fluoro-5-methoxyphenyl)methyl]-2-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 402.51 g/mol, XLogP of 3.76, 6 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-[3-(1-methylcyclopropyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 25297438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).