8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H25FN2O3 — CID 56881325

IUPAC8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O3/c21-16-5-1-14(2-6-16)12-23-13-20(11-17(23)19(25)26)7-9-22(10-8-20)18(24)15-3-4-15/h1-2,5-6,15,17H,3-4,7-13H2,(H,25,26)
InChIKeyCATQQADDHOVLCB-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.50
Rot. Bonds4

About 8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56881325) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56881325
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C20H25FN2O3/c21-16-5-1-14(2-6-16)12-23-13-20(11-17(23)19(25)26)7-9-22(10-8-20)18(24)15-3-4-15/h1-2,5-6,15,17H,3-4,7-13H2,(H,25,26)
InChIKeyCATQQADDHOVLCB-UHFFFAOYSA-N
XLogP2.50
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(cyclopropanecarbonyl)-2-[2-(4-fluorophenyl)acetyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70723113
8-(cyclopropanecarbonyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56895775
8-(cyclopropanecarbonyl)-2-[(2-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56881678
(3R)-8-(cyclopropanecarbonyl)-2-[(2-fluoro-5-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95874086
8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56911064
8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56892074
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
CID 67355077
8-(cyclopropanecarbonyl)-2-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56906178
8-(cyclopropanecarbonyl)-2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56913813
cyclopropyl-[1-[(4-fluorophenyl)methyl]-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97396970
8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56901025
8-(cyclopropanecarbonyl)-2-(2-fluorobenzoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70756805

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56881325) is 8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CC2(CCN(C(=O)C3CC3)CC2)CN1Cc1ccc(F)cc1.
What is the InChIKey of 8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is CATQQADDHOVLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c21-16-5-1-14(2-6-16)12-23-13-20(11-17(23)19(25)26)7-9-22(10-8-20)18(24)15-3-4-15/h1-2,5-6,15,17H,3-4,7-13H2,(H,25,26).
What are the key properties of 8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 360.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56881325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).