1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

C24H25F2N5O — CID 134800218

IUPAC1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCN(c2nccc(Nc3ccccc3F)n2)C1
InChIInChI=1S/C24H25F2N5O/c25-19-9-7-17(8-10-19)11-13-27-23(32)18-4-3-15-31(16-18)24-28-14-12-22(30-24)29-21-6-2-1-5-20(21)26/h1-2,5-10,12,14,18H,3-4,11,13,15-16H2,(H,27,32)(H,28,29,30)
InChIKeyPWHSGJLRIRHYAS-UHFFFAOYSA-N
MW437.49 g/mol
LogP4.07
Rot. Bonds7

About 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide

1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 134800218) has the molecular formula C24H25F2N5O and a molecular weight of 437.49 g/mol. Its IUPAC name is 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID134800218
Molecular FormulaC24H25F2N5O
Molecular Weight437.49 g/mol
Exact Mass437.20
IUPAC Name1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCN(c2nccc(Nc3ccccc3F)n2)C1
InChIInChI=1S/C24H25F2N5O/c25-19-9-7-17(8-10-19)11-13-27-23(32)18-4-3-15-31(16-18)24-28-14-12-22(30-24)29-21-6-2-1-5-20(21)26/h1-2,5-10,12,14,18H,3-4,11,13,15-16H2,(H,27,32)(H,28,29,30)
InChIKeyPWHSGJLRIRHYAS-UHFFFAOYSA-N
XLogP4.07
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 134799597
1-[4-(4-methylanilino)pyrimidin-2-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 134802244
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221429
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 90654569
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-(2-methylsulfanylethyl)piperidine-4-carboxamide
CID 134798788
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
N-[2-(4-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-3-carboxamide
CID 16675747
N-[2-(4-fluorophenyl)ethyl]-1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidine-3-carboxamide
CID 134792125
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297501
N-(2-methoxyethyl)-1-[4-(4-methylanilino)pyrimidin-2-yl]piperidine-3-carboxamide
CID 134801627
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 53085986
1-[1-(4-aminopyrimidin-2-yl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 70770161

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide (CID 134800218) is 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is O=C(NCCc1ccc(F)cc1)C1CCCN(c2nccc(Nc3ccccc3F)n2)C1.
What is the InChIKey of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is PWHSGJLRIRHYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O/c25-19-9-7-17(8-10-19)11-13-27-23(32)18-4-3-15-31(16-18)24-28-14-12-22(30-24)29-21-6-2-1-5-20(21)26/h1-2,5-10,12,14,18H,3-4,11,13,15-16H2,(H,27,32)(H,28,29,30).
What are the key properties of 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide?
1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 437.49 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroanilino)pyrimidin-2-yl]-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 134800218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).