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

C25H31FN4O2 — CID 92639602

IUPAC2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2C(=O)CC2CCCC2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H31FN4O2/c1-17-21(25(32)28-15-19-9-11-20(26)12-10-19)16-27-24(29-17)22-8-4-5-13-30(22)23(31)14-18-6-2-3-7-18/h9-12,16,18,22H,2-8,13-15H2,1H3,(H,28,32)/t22-/m1/s1
InChIKeyJBQJIVZHTLJJAH-JOCHJYFZSA-N
MW438.55 g/mol
LogP4.49
Rot. Bonds6

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

2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 92639602) has the molecular formula C25H31FN4O2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
PubChem CID92639602
Molecular FormulaC25H31FN4O2
Molecular Weight438.55 g/mol
Exact Mass438.24
IUPAC Name2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
SMILESCc1nc([C@H]2CCCCN2C(=O)CC2CCCC2)ncc1C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C25H31FN4O2/c1-17-21(25(32)28-15-19-9-11-20(26)12-10-19)16-27-24(29-17)22-8-4-5-13-30(22)23(31)14-18-6-2-3-7-18/h9-12,16,18,22H,2-8,13-15H2,1H3,(H,28,32)/t22-/m1/s1
InChIKeyJBQJIVZHTLJJAH-JOCHJYFZSA-N
XLogP4.49
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92639588
2-[(2R)-1-cyclopentylpiperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639674
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-[(3S)-1-(2-cyclopentylacetyl)piperidin-3-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide
CID 92639870
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-benzyl-4-methyl-2-[(2S)-1-(2-phenylacetyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639623
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069
N-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine-5-carboxamide
CID 92639611

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide (CID 92639602) is 2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide is Cc1nc([C@H]2CCCCN2C(=O)CC2CCCC2)ncc1C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is JBQJIVZHTLJJAH-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H31FN4O2/c1-17-21(25(32)28-15-19-9-11-20(26)12-10-19)16-27-24(29-17)22-8-4-5-13-30(22)23(31)14-18-6-2-3-7-18/h9-12,16,18,22H,2-8,13-15H2,1H3,(H,28,32)/t22-/m1/s1.
What are the key properties of 2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide?
2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 438.55 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 92639602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).