(5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C19H24FN3O2 — CID 126442122

IUPAC(5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESNC1(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4F)C3=O)C2)CC1
InChIInChI=1S/C19H24FN3O2/c20-15-5-2-1-4-14(15)12-22-10-3-6-18(16(22)24)9-11-23(13-18)17(25)19(21)7-8-19/h1-2,4-5H,3,6-13,21H2/t18-/m0/s1
InChIKeyJHQBTKINDQLSHE-SFHVURJKSA-N
MW345.42 g/mol
LogP1.66
Rot. Bonds3

About (5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 126442122) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID126442122
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESNC1(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4F)C3=O)C2)CC1
InChIInChI=1S/C19H24FN3O2/c20-15-5-2-1-4-14(15)12-22-10-3-6-18(16(22)24)9-11-23(13-18)17(25)19(21)7-8-19/h1-2,4-5H,3,6-13,21H2/t18-/m0/s1
InChIKeyJHQBTKINDQLSHE-SFHVURJKSA-N
XLogP1.66
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-7-[(2-fluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25370197
(5R)-2-(2-cyclopentylacetyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25292551
(5R)-2-(3-aminopropanoyl)-7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126451477
(5R)-7-[(2-fluorophenyl)methyl]-2-(furan-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25446227
(5R)-7-[(2-fluorophenyl)methyl]-2-(6-oxo-1H-pyridine-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95730507
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25454216
7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-imidazole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45175530
(5R)-7-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25294122
7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45170196
(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25459714
(5S)-7-[(2,3-difluorophenyl)methyl]-2-[1-(methoxymethyl)cyclopropanecarbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126426601
(5S)-2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25305777

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 126442122) is (5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is NC1(C(=O)N2CC[C@@]3(CCCN(Cc4ccccc4F)C3=O)C2)CC1.
What is the InChIKey of (5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is JHQBTKINDQLSHE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24FN3O2/c20-15-5-2-1-4-14(15)12-22-10-3-6-18(16(22)24)9-11-23(13-18)17(25)19(21)7-8-19/h1-2,4-5H,3,6-13,21H2/t18-/m0/s1.
What are the key properties of (5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 345.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 126442122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).