N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide

C22H21FN4O — CID 53099047

IUPACN-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(-c2cc(N3CCCCC3)ncn2)c1
InChIInChI=1S/C22H21FN4O/c23-18-8-5-9-19(13-18)26-22(28)17-7-4-6-16(12-17)20-14-21(25-15-24-20)27-10-2-1-3-11-27/h4-9,12-15H,1-3,10-11H2,(H,26,28)
InChIKeyKGSZOXPANLRWJG-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.53
Rot. Bonds4

About N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide

N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 53099047) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID53099047
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC NameN-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(-c2cc(N3CCCCC3)ncn2)c1
InChIInChI=1S/C22H21FN4O/c23-18-8-5-9-19(13-18)26-22(28)17-7-4-6-16(12-17)20-14-21(25-15-24-20)27-10-2-1-3-11-27/h4-9,12-15H,1-3,10-11H2,(H,26,28)
InChIKeyKGSZOXPANLRWJG-UHFFFAOYSA-N
XLogP4.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099012
N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53009848
1-(3-fluorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)urea
CID 90545095
N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53009839
3-fluoro-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014760
N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098855
3-(azepane-1-carbonyl)-N-(3-fluorophenyl)benzamide
CID 109056732
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[6-(3-fluorophenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062203
4-fluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593222
N-(3-fluorophenyl)-4-pyrrolidin-1-ylbenzamide
CID 110295195
3-fluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014754

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide (CID 53099047) is N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide is O=C(Nc1cccc(F)c1)c1cccc(-c2cc(N3CCCCC3)ncn2)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is KGSZOXPANLRWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-18-8-5-9-19(13-18)26-22(28)17-7-4-6-16(12-17)20-14-21(25-15-24-20)27-10-2-1-3-11-27/h4-9,12-15H,1-3,10-11H2,(H,26,28).
What are the key properties of N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide?
N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 376.44 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 53099047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).