4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide

C24H25FN4O — CID 129361212

IUPAC4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2)c([C@H]2CCCCN2Cc2ccc(F)cc2)n1
InChIInChI=1S/C24H25FN4O/c1-17-26-15-21(24(30)28-20-7-3-2-4-8-20)23(27-17)22-9-5-6-14-29(22)16-18-10-12-19(25)13-11-18/h2-4,7-8,10-13,15,22H,5-6,9,14,16H2,1H3,(H,28,30)/t22-/m1/s1
InChIKeyIDMJRWWWDUTZIM-JOCHJYFZSA-N
MW404.49 g/mol
LogP4.90
Rot. Bonds5

About 4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide

4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 129361212) has the molecular formula C24H25FN4O and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID129361212
Molecular FormulaC24H25FN4O
Molecular Weight404.49 g/mol
Exact Mass404.20
IUPAC Name4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccccc2)c([C@H]2CCCCN2Cc2ccc(F)cc2)n1
InChIInChI=1S/C24H25FN4O/c1-17-26-15-21(24(30)28-20-7-3-2-4-8-20)23(27-17)22-9-5-6-14-29(22)16-18-10-12-19(25)13-11-18/h2-4,7-8,10-13,15,22H,5-6,9,14,16H2,1H3,(H,28,30)/t22-/m1/s1
InChIKeyIDMJRWWWDUTZIM-JOCHJYFZSA-N
XLogP4.90
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-benzylpiperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637314
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247458
4-[(2R)-1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-5-carboxamide
CID 92640575
4-[(2S)-1-[(3-fluorophenyl)methyl]piperidin-2-yl]-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-5-carboxamide
CID 92640580
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
4-[1-[3-(4-chlorophenyl)propanoyl]pyrrolidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 155982964
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-N-(2-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110247632
N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639751
N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725
N-benzyl-4-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 110085118
4-(1-but-2-ynoylpiperidin-4-yl)-2-methyl-N-phenylpyrimidine-5-carboxamide
CID 146072727
N-cyclohexyl-4-[(2R)-1-[3-(4-fluorophenyl)propanoyl]pyrrolidin-2-yl]-2-methylpyrimidine-5-carboxamide
CID 92640451

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide (CID 129361212) is 4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccccc2)c([C@H]2CCCCN2Cc2ccc(F)cc2)n1.
What is the InChIKey of 4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is IDMJRWWWDUTZIM-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25FN4O/c1-17-26-15-21(24(30)28-20-7-3-2-4-8-20)23(27-17)22-9-5-6-14-29(22)16-18-10-12-19(25)13-11-18/h2-4,7-8,10-13,15,22H,5-6,9,14,16H2,1H3,(H,28,30)/t22-/m1/s1.
What are the key properties of 4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide?
4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 129361212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).