N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide

C22H23F2N3O2 — CID 154843783

IUPACN-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CC2(CCC2)C1c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C22H23F2N3O2/c1-14(28)26-19(17-6-5-16(23)10-18(17)24)11-20(29)27-13-22(7-3-8-22)21(27)15-4-2-9-25-12-15/h2,4-6,9-10,12,19,21H,3,7-8,11,13H2,1H3,(H,26,28)
InChIKeyDJMNZVMQIAPJSY-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.68
Rot. Bonds5

About N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide

N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide (PubChem CID 154843783) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide
PubChem CID154843783
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC NameN-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CC2(CCC2)C1c1cccnc1)c1ccc(F)cc1F
InChIInChI=1S/C22H23F2N3O2/c1-14(28)26-19(17-6-5-16(23)10-18(17)24)11-20(29)27-13-22(7-3-8-22)21(27)15-4-2-9-25-12-15/h2,4-6,9-10,12,19,21H,3,7-8,11,13H2,1H3,(H,26,28)
InChIKeyDJMNZVMQIAPJSY-UHFFFAOYSA-N
XLogP3.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,4-difluorophenyl)-3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
CID 120572381
N-[3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(2,4-difluorophenyl)-3-oxopropyl]acetamide;hydrochloride
CID 120816478
N-[1-(2,4-difluorophenyl)-3-[4-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119560695
3-acetamido-3-(2,4-difluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 111459564
N-[1-(2,4-difluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 119539315
2-(2,3-dihydroindol-1-yl)-1-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)ethanone
CID 155954240
N-[1-(2,6-difluorophenyl)-3-[2-(3-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]acetamide
CID 146084589
3-acetamido-3-(2,4-difluorophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576940
3-acetamido-3-(2,4-difluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 110000728
3-acetamido-N-(2-aminoethyl)-3-(2,4-difluorophenyl)propanamide
CID 119382823
3-acetamido-3-(2,4-difluorophenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430545
2-[[3-acetamido-3-(2,4-difluorophenyl)propanoyl]-cyclopropylamino]propanoic acid
CID 122067212

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide?
The IUPAC name of N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide (CID 154843783) is N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide.
What is the SMILES notation for N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide?
The canonical SMILES for N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide is CC(=O)NC(CC(=O)N1CC2(CCC2)C1c1cccnc1)c1ccc(F)cc1F.
What is the InChIKey of N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide?
The InChIKey is DJMNZVMQIAPJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c1-14(28)26-19(17-6-5-16(23)10-18(17)24)11-20(29)27-13-22(7-3-8-22)21(27)15-4-2-9-25-12-15/h2,4-6,9-10,12,19,21H,3,7-8,11,13H2,1H3,(H,26,28).
What are the key properties of N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide?
N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide has a molecular weight of 399.44 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-difluorophenyl)-3-oxo-3-(3-pyridin-3-yl-2-azaspiro[3.3]heptan-2-yl)propyl]acetamide is sourced from PubChem (CID 154843783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).