2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide

C23H29FN4O — CID 92639674

IUPAC2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2C2CCCC2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H29FN4O/c1-16-20(23(29)26-14-17-9-11-18(24)12-10-17)15-25-22(27-16)21-8-4-5-13-28(21)19-6-2-3-7-19/h9-12,15,19,21H,2-8,13-14H2,1H3,(H,26,29)/t21-/m1/s1
InChIKeyZSDNLFULSWTEFC-OAQYLSRUSA-N
MW396.51 g/mol
LogP4.32
Rot. Bonds5

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

2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 92639674) has the molecular formula C23H29FN4O and a molecular weight of 396.51 g/mol. Its IUPAC name is 2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
PubChem CID92639674
Molecular FormulaC23H29FN4O
Molecular Weight396.51 g/mol
Exact Mass396.23
IUPAC Name2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2C2CCCC2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C23H29FN4O/c1-16-20(23(29)26-14-17-9-11-18(24)12-10-17)15-25-22(27-16)21-8-4-5-13-28(21)19-6-2-3-7-19/h9-12,15,19,21H,2-8,13-14H2,1H3,(H,26,29)/t21-/m1/s1
InChIKeyZSDNLFULSWTEFC-OAQYLSRUSA-N
XLogP4.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247725
N-[(4-fluorophenyl)methyl]-2-[(2S)-1-[(4-fluorophenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639751
2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639602
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639611
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(1-methylpyrazole-4-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639724
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110249032
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92640294
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247737
N-[(4-fluorophenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110247738
N-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084882
2-[1-[(4-ethoxyphenyl)methyl]pyrrolidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 110247487
N-[(4-fluorophenyl)methyl]-4-methyl-2-piperidin-4-ylpyrimidine-5-carboxamide
CID 110082218

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide (CID 92639674) is 2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide is Cc1nc([C@H]2CCCCN2C2CCCC2)ncc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is ZSDNLFULSWTEFC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29FN4O/c1-16-20(23(29)26-14-17-9-11-18(24)12-10-17)15-25-22(27-16)21-8-4-5-13-28(21)19-6-2-3-7-19/h9-12,15,19,21H,2-8,13-14H2,1H3,(H,26,29)/t21-/m1/s1.
What are the key properties of 2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide?
2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92639674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).