4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide

C17H19FN4O — CID 91967226

IUPAC4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O/c18-14-6-4-13(5-7-14)16(23)20-12-15-8-9-19-17(21-15)22-10-2-1-3-11-22/h4-9H,1-3,10-12H2,(H,20,23)
InChIKeyDMFWOIVEIKMZDY-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.54
Rot. Bonds4

About 4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide

4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide (PubChem CID 91967226) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
PubChem CID91967226
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C17H19FN4O/c18-14-6-4-13(5-7-14)16(23)20-12-15-8-9-19-17(21-15)22-10-2-1-3-11-22/h4-9H,1-3,10-12H2,(H,20,23)
InChIKeyDMFWOIVEIKMZDY-UHFFFAOYSA-N
XLogP2.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 91967117
2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 72718326
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
3-iodo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353315
3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
2-(azepan-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305661
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122351951
3,5-dinitro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352195
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 122353608
N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122352082

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide (CID 91967226) is 4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide is O=C(NCc1ccnc(N2CCCCC2)n1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is DMFWOIVEIKMZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-14-6-4-13(5-7-14)16(23)20-12-15-8-9-19-17(21-15)22-10-2-1-3-11-22/h4-9H,1-3,10-12H2,(H,20,23).
What are the key properties of 4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide has a molecular weight of 314.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 91967226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).