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

C17H19FN4O — CID 72718326

IUPAC2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)c1ccccc1F
InChIInChI=1S/C17H19FN4O/c18-15-7-3-2-6-14(15)16(23)20-12-13-8-9-19-17(21-13)22-10-4-1-5-11-22/h2-3,6-9H,1,4-5,10-12H2,(H,20,23)
InChIKeyDERTYCLZEVBTCU-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.54
Rot. Bonds4

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

2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide (PubChem CID 72718326) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
PubChem CID72718326
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
SMILESO=C(NCc1ccnc(N2CCCCC2)n1)c1ccccc1F
InChIInChI=1S/C17H19FN4O/c18-15-7-3-2-6-14(15)16(23)20-12-13-8-9-19-17(21-13)22-10-4-1-5-11-22/h2-3,6-9H,1,4-5,10-12H2,(H,20,23)
InChIKeyDERTYCLZEVBTCU-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

3-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 122353231
2,3,4-trifluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353165
2-(difluoromethylsulfanyl)-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353149
1-(2,6-difluorophenyl)-3-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122353062
2-phenoxy-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122353084
4-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967226
2-nitro-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 122352192
1-methyl-2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]pyridine-3-carboxamide
CID 122353078
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
2-(2-chloro-6-fluorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352101
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040
2-naphthalen-1-yl-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122353105

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide (CID 72718326) is 2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide is O=C(NCc1ccnc(N2CCCCC2)n1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
The InChIKey is DERTYCLZEVBTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c18-15-7-3-2-6-14(15)16(23)20-12-13-8-9-19-17(21-13)22-10-4-1-5-11-22/h2-3,6-9H,1,4-5,10-12H2,(H,20,23).
What are the key properties of 2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide?
2-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 2-fluoro-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 72718326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).