1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide

C25H27FN4O2 — CID 42244589

IUPAC1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
SMILESCCc1ncc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1
InChIInChI=1S/C25H27FN4O2/c1-2-24-27-15-18(16-28-24)17-30-13-11-19(12-14-30)25(31)29-20-7-9-21(10-8-20)32-23-6-4-3-5-22(23)26/h3-10,15-16,19H,2,11-14,17H2,1H3,(H,29,31)
InChIKeyVDGVLQCINIQFSN-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.82
Rot. Bonds7

About 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide

1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide (PubChem CID 42244589) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
PubChem CID42244589
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
SMILESCCc1ncc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1
InChIInChI=1S/C25H27FN4O2/c1-2-24-27-15-18(16-28-24)17-30-13-11-19(12-14-30)25(31)29-20-7-9-21(10-8-20)32-23-6-4-3-5-22(23)26/h3-10,15-16,19H,2,11-14,17H2,1H3,(H,29,31)
InChIKeyVDGVLQCINIQFSN-UHFFFAOYSA-N
XLogP4.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 26322313
N-[4-(2-fluorophenoxy)phenyl]-1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 42120451
1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 26399704
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
1-(1,3-benzodioxol-4-ylmethyl)-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide
CID 42454778
N-[4-(2-fluorophenoxy)phenyl]-1-[(1S,2R)-2-propylcyclopropanecarbonyl]piperidine-4-carboxamide
CID 133138136
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
N-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45019225
1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 45016319
1-[(4-chloro-2-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 100683953
1-[(3-ethoxyphenyl)methyl]-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43919703
N-(4-cyclopentyloxyphenyl)-1-[(2-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46775304

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide (CID 42244589) is 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide is CCc1ncc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4F)cc3)CC2)cn1.
What is the InChIKey of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is VDGVLQCINIQFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-2-24-27-15-18(16-28-24)17-30-13-11-19(12-14-30)25(31)29-20-7-9-21(10-8-20)32-23-6-4-3-5-22(23)26/h3-10,15-16,19H,2,11-14,17H2,1H3,(H,29,31).
What are the key properties of 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide?
1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrimidin-5-yl)methyl]-N-[4-(2-fluorophenoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 42244589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).