2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide

C25H28FN3O2 — CID 53234091

IUPAC2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCC2(CC1)CCN(c1ccc(C3CC3)cc1)C2=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H28FN3O2/c26-20-5-7-21(8-6-20)27-23(30)17-28-14-11-25(12-15-28)13-16-29(24(25)31)22-9-3-19(4-10-22)18-1-2-18/h3-10,18H,1-2,11-17H2,(H,27,30)
InChIKeyKYPDIPDGLRVHIG-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.16
Rot. Bonds5

About 2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide

2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 53234091) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide
PubChem CID53234091
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN1CCC2(CC1)CCN(c1ccc(C3CC3)cc1)C2=O)Nc1ccc(F)cc1
InChIInChI=1S/C25H28FN3O2/c26-20-5-7-21(8-6-20)27-23(30)17-28-14-11-25(12-15-28)13-16-29(24(25)31)22-9-3-19(4-10-22)18-1-2-18/h3-10,18H,1-2,11-17H2,(H,27,30)
InChIKeyKYPDIPDGLRVHIG-UHFFFAOYSA-N
XLogP4.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopropylphenyl)-8-hydroxy-8-methyl-2-azaspiro[4.5]decan-1-one
CID 58230086
N-(4-fluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60967333
N-(4-fluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 55130773
N-(4-fluorophenyl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 155980853
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
N-(4-fluorophenyl)-2-[4-(4-morpholin-4-ylphenyl)cyclohexyl]acetamide
CID 121319959
N-(4-fluorophenyl)-2-(3-naphthalen-2-ylpyrrolidin-1-yl)acetamide
CID 70338702
2-(4-cyclopropylsulfonylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 155980857
N-(4-cyclohexylphenyl)-2-morpholin-4-ylacetamide
CID 651814
4-anilino-1-[2-(4-cyclohexylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 22448123
2-[4-(4-fluorophenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16671888
1-[2-(4-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134233

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide (CID 53234091) is 2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide is O=C(CN1CCC2(CC1)CCN(c1ccc(C3CC3)cc1)C2=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is KYPDIPDGLRVHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c26-20-5-7-21(8-6-20)27-23(30)17-28-14-11-25(12-15-28)13-16-29(24(25)31)22-9-3-19(4-10-22)18-1-2-18/h3-10,18H,1-2,11-17H2,(H,27,30).
What are the key properties of 2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide?
2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 421.52 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyclopropylphenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 53234091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).