(3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide

C23H23FN4O — CID 95055736

IUPAC(3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)c1
InChIInChI=1S/C23H23FN4O/c1-16-4-2-6-20(14-16)26-23(29)18-5-3-13-28(15-18)21-11-12-25-22(27-21)17-7-9-19(24)10-8-17/h2,4,6-12,14,18H,3,5,13,15H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyUNECRYXXYKREPL-GOSISDBHSA-N
MW390.46 g/mol
LogP4.45
Rot. Bonds4

About (3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide

(3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 95055736) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is (3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID95055736
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name(3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)c1
InChIInChI=1S/C23H23FN4O/c1-16-4-2-6-20(14-16)26-23(29)18-5-3-13-28(15-18)21-11-12-25-22(27-21)17-7-9-19(24)10-8-17/h2,4,6-12,14,18H,3,5,13,15H2,1H3,(H,26,29)/t18-/m1/s1
InChIKeyUNECRYXXYKREPL-GOSISDBHSA-N
XLogP4.45
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluorophenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53033873
N-(3-chloro-4-methoxyphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53071336
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 30353811
1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-(3-methylphenyl)piperidine-3-carboxamide
CID 53106960
(3R)-N-(3-chloro-4-methylphenyl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069935
(3S)-N-(2,4-dimethylphenyl)-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069895
(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95055755
(3R)-N-(4-butylphenyl)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069805
N-butan-2-yl-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 53006551
(3S)-N-butyl-1-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 93065789
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069932
(3S)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 95055741

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide (CID 95055736) is (3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(F)cc4)n3)C2)c1.
What is the InChIKey of (3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is UNECRYXXYKREPL-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-16-4-2-6-20(14-16)26-23(29)18-5-3-13-28(15-18)21-11-12-25-22(27-21)17-7-9-19(24)10-8-17/h2,4,6-12,14,18H,3,5,13,15H2,1H3,(H,26,29)/t18-/m1/s1.
What are the key properties of (3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide?
(3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 95055736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).