(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

C16H17FN4O — CID 51686412

IUPAC(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H17FN4O/c17-13-5-1-6-14(10-13)20-15(22)12-4-2-9-21(11-12)16-18-7-3-8-19-16/h1,3,5-8,10,12H,2,4,9,11H2,(H,20,22)/t12-/m1/s1
InChIKeyNXOFOYOIACFPTH-GFCCVEGCSA-N
MW300.34 g/mol
LogP2.47
Rot. Bonds3

About (3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 51686412) has the molecular formula C16H17FN4O and a molecular weight of 300.34 g/mol. Its IUPAC name is (3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID51686412
Molecular FormulaC16H17FN4O
Molecular Weight300.34 g/mol
Exact Mass300.14
IUPAC Name(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2ncccn2)C1
InChIInChI=1S/C16H17FN4O/c17-13-5-1-6-14(10-13)20-15(22)12-4-2-9-21(11-12)16-18-7-3-8-19-16/h1,3,5-8,10,12H,2,4,9,11H2,(H,20,22)/t12-/m1/s1
InChIKeyNXOFOYOIACFPTH-GFCCVEGCSA-N
XLogP2.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4,6-dimethylpyrimidin-2-yl)-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 3224220
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3R)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-phenylpiperidine-3-carboxamide
CID 95085728
N-(3-acetamido-4-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47023979
(3R)-1-[5-(3-fluorophenyl)pyrimidin-2-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 95085716
1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 53106960
N-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53033873
N-(4-fluoro-2-methoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 47024487
N-(3-fluorophenyl)-1-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121103828
N-(3-bromo-4-methylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134053965
N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55955657
(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921094

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 51686412) is (3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is O=C(Nc1cccc(F)c1)[C@@H]1CCCN(c2ncccn2)C1.
What is the InChIKey of (3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is NXOFOYOIACFPTH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17FN4O/c17-13-5-1-6-14(10-13)20-15(22)12-4-2-9-21(11-12)16-18-7-3-8-19-16/h1,3,5-8,10,12H,2,4,9,11H2,(H,20,22)/t12-/m1/s1.
What are the key properties of (3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-fluorophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 51686412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).