2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide

C25H25FN4O3 — CID 110084796

IUPAC2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H25FN4O3/c1-17-22(25(32)29-20-5-3-2-4-6-20)15-27-24(28-17)18-11-13-30(14-12-18)23(31)16-33-21-9-7-19(26)8-10-21/h2-10,15,18H,11-14,16H2,1H3,(H,29,32)
InChIKeyZRCRPYXEOLYTQT-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.96
Rot. Bonds6

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

2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide (PubChem CID 110084796) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
PubChem CID110084796
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
SMILESCc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C25H25FN4O3/c1-17-22(25(32)29-20-5-3-2-4-6-20)15-27-24(28-17)18-11-13-30(14-12-18)23(31)16-33-21-9-7-19(26)8-10-21/h2-10,15,18H,11-14,16H2,1H3,(H,29,32)
InChIKeyZRCRPYXEOLYTQT-UHFFFAOYSA-N
XLogP3.96
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzoylpiperidin-4-yl)-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639563
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 110088656
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-N-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 92640157
N-(2-fluorophenyl)-4-methyl-2-[(3S)-1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidine-5-carboxamide
CID 95806054
N-(4-fluorophenyl)-2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 110084861
N-(2-methoxyphenyl)-4-methyl-2-(1-propanoylpiperidin-4-yl)pyrimidine-5-carboxamide
CID 110084783
2-[(2R)-1-[2-(4-fluorophenyl)acetyl]piperidin-2-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92637297
N-benzyl-2-[(2R)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 92637069
2-[(3S)-1-acetylpiperidin-3-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide
CID 92639808
N-(2-methoxyphenyl)-2-[1-(3-methoxypropanoyl)piperidin-4-yl]-4-methylpyrimidine-5-carboxamide
CID 92639521
N-(4-methoxyphenyl)-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 110250655
N-(4-methoxyphenyl)-4-methyl-2-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 110084827

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide (CID 110084796) is 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide is Cc1nc(C2CCN(C(=O)COc3ccc(F)cc3)CC2)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
The InChIKey is ZRCRPYXEOLYTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-17-22(25(32)29-20-5-3-2-4-6-20)15-27-24(28-17)18-11-13-30(14-12-18)23(31)16-33-21-9-7-19(26)8-10-21/h2-10,15,18H,11-14,16H2,1H3,(H,29,32).
What are the key properties of 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide?
2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenoxy)acetyl]piperidin-4-yl]-4-methyl-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 110084796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).