N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide

C23H23FN4O — CID 650243

IUPACN-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H23FN4O/c1-16-15-21(27-22(25-16)17-5-3-2-4-6-17)28-13-11-18(12-14-28)23(29)26-20-9-7-19(24)8-10-20/h2-10,15,18H,11-14H2,1H3,(H,26,29)
InChIKeyRRHZGWVBTWANSP-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.45
Rot. Bonds4

About N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide

N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 650243) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID650243
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC NameN-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nc(-c2ccccc2)n1
InChIInChI=1S/C23H23FN4O/c1-16-15-21(27-22(25-16)17-5-3-2-4-6-17)28-13-11-18(12-14-28)23(29)26-20-9-7-19(24)8-10-20/h2-10,15,18H,11-14H2,1H3,(H,26,29)
InChIKeyRRHZGWVBTWANSP-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide (CID 650243) is N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is RRHZGWVBTWANSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-16-15-21(27-22(25-16)17-5-3-2-4-6-17)28-13-11-18(12-14-28)23(29)26-20-9-7-19(24)8-10-20/h2-10,15,18H,11-14H2,1H3,(H,26,29).
What are the key properties of N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-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 N-(4-fluorophenyl)-1-(6-methyl-2-phenylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 650243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).