4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid

C25H24FNO4 — CID 174239287

IUPAC4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid
SMILESO=C(c1ccc([C@H]2C=Cc3cccc(C4CCN(C(=O)O)CC4)c3O2)c(F)c1)C1CC1
InChIInChI=1S/C25H24FNO4/c26-21-14-18(23(28)16-4-5-16)6-8-20(21)22-9-7-17-2-1-3-19(24(17)31-22)15-10-12-27(13-11-15)25(29)30/h1-3,6-9,14-16,22H,4-5,10-13H2,(H,29,30)/t22-/m1/s1
InChIKeyMGIYGDUQNUZAML-JOCHJYFZSA-N
MW421.47 g/mol
LogP5.42
Rot. Bonds4

About 4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid

4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid (PubChem CID 174239287) has the molecular formula C25H24FNO4 and a molecular weight of 421.47 g/mol. Its IUPAC name is 4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid
PubChem CID174239287
Molecular FormulaC25H24FNO4
Molecular Weight421.47 g/mol
Exact Mass421.17
IUPAC Name4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid
SMILESO=C(c1ccc([C@H]2C=Cc3cccc(C4CCN(C(=O)O)CC4)c3O2)c(F)c1)C1CC1
InChIInChI=1S/C25H24FNO4/c26-21-14-18(23(28)16-4-5-16)6-8-20(21)22-9-7-17-2-1-3-19(24(17)31-22)15-10-12-27(13-11-15)25(29)30/h1-3,6-9,14-16,22H,4-5,10-13H2,(H,29,30)/t22-/m1/s1
InChIKeyMGIYGDUQNUZAML-JOCHJYFZSA-N
XLogP5.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.47
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

2-[[4-[(2R)-2-(4-chloro-2-fluorophenyl)-2H-chromen-8-yl]piperidin-1-yl]methyl]-1-[[(2S)-oxetan-2-yl]methyl]-2,3-dihydrobenzimidazole-5-carboxylic acid
CID 167451367
4-[3-(4-chloro-2-fluorophenyl)-2,3-dihydro-1,4-benzodioxin-5-yl]piperidine-1-carboxylic acid
CID 170428125
4-[3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazin-8-yl]piperidine-1-carboxylic acid
CID 167433935
4-(4-fluoro-3-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 116918664
cyclopropyl-[4-(2-fluoro-4-hydroxyphenyl)piperidin-1-yl]methanone
CID 125474254
bis[4-(2-fluorophenyl)piperidin-1-yl]methanone
CID 174617068
(3,4-difluorophenyl)-[4-(methylamino)cyclohexyl]methanone
CID 116917605
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-fluorobenzoic acid;ethane
CID 176579432
4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
CID 66905730
2,3-dihydro-1,4-benzodioxin-6-yl-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]methanone
CID 33368738
cyclopropyl-(3,4,5-trifluorophenyl)methanone
CID 24724112
4-(4-amino-2,6-difluorophenyl)piperidine-1-carboxylic acid
CID 18359197

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid (CID 174239287) is 4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid is O=C(c1ccc([C@H]2C=Cc3cccc(C4CCN(C(=O)O)CC4)c3O2)c(F)c1)C1CC1.
What is the InChIKey of 4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid?
The InChIKey is MGIYGDUQNUZAML-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24FNO4/c26-21-14-18(23(28)16-4-5-16)6-8-20(21)22-9-7-17-2-1-3-19(24(17)31-22)15-10-12-27(13-11-15)25(29)30/h1-3,6-9,14-16,22H,4-5,10-13H2,(H,29,30)/t22-/m1/s1.
What are the key properties of 4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid?
4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid has a molecular weight of 421.47 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-[4-(cyclopropanecarbonyl)-2-fluorophenyl]-2H-chromen-8-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 174239287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).