9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one

C18H22F2N2O — CID 126808434

IUPAC9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one
SMILESO=C1CCC(NC2CC(c3cc(F)cc(F)c3)C2)C2(CCC2)N1
InChIInChI=1S/C18H22F2N2O/c19-13-6-11(7-14(20)10-13)12-8-15(9-12)21-16-2-3-17(23)22-18(16)4-1-5-18/h6-7,10,12,15-16,21H,1-5,8-9H2,(H,22,23)
InChIKeyCAIFTWBHVFPYKL-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.00
Rot. Bonds3

About 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one

9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one (PubChem CID 126808434) has the molecular formula C18H22F2N2O and a molecular weight of 320.38 g/mol. Its IUPAC name is 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one.

Molecular Properties

Compound Name9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one
PubChem CID126808434
Molecular FormulaC18H22F2N2O
Molecular Weight320.38 g/mol
Exact Mass320.17
IUPAC Name9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one
SMILESO=C1CCC(NC2CC(c3cc(F)cc(F)c3)C2)C2(CCC2)N1
InChIInChI=1S/C18H22F2N2O/c19-13-6-11(7-14(20)10-13)12-8-15(9-12)21-16-2-3-17(23)22-18(16)4-1-5-18/h6-7,10,12,15-16,21H,1-5,8-9H2,(H,22,23)
InChIKeyCAIFTWBHVFPYKL-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R,5R)-5-amino-1-(2-phenylethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16203033
(4R,5R)-5-amino-1-(3-phenylpropyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204464
(4R,5R)-5-amino-1-[(2S)-2-phenylpropyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 16204465
1-({3-[2-(2-Fluorophenyl)ethyl]-1-piperidinyl}carbonyl)cyclobutanamine
CID 56868968
tert-Butyl [(3R,4R)-6-oxo-4-(2,4,5-trifluorophenyl)piperidin-3-yl]carbamate
CID 45140694
(3S,5S,6R)-3-amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one hydrochloride
CID 68749751
(3S,5S,6R)-3-Amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 68749752
4-(3,4-Difluorophenyl)piperidin-2-one
CID 76001650
(5S,6R)-3-Amino-6-methyl-5-phenyl-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 89821829
(4R,5R)-5-amino-4-(2,4,5-trifluorophenyl)piperidin-2-one
CID 45140503
N-[2-(4-methylpiperidin-1-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 56684587
2-(2,5-difluorophenyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 99819003

Frequently Asked Questions

What is the IUPAC name of 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one?
The IUPAC name of 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one (CID 126808434) is 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one.
What is the SMILES notation for 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one?
The canonical SMILES for 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one is O=C1CCC(NC2CC(c3cc(F)cc(F)c3)C2)C2(CCC2)N1.
What is the InChIKey of 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one?
The InChIKey is CAIFTWBHVFPYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O/c19-13-6-11(7-14(20)10-13)12-8-15(9-12)21-16-2-3-17(23)22-18(16)4-1-5-18/h6-7,10,12,15-16,21H,1-5,8-9H2,(H,22,23).
What are the key properties of 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one?
9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one has a molecular weight of 320.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(3,5-difluorophenyl)cyclobutyl]amino]-5-azaspiro[3.5]nonan-6-one is sourced from PubChem (CID 126808434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).