2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide

C19H23FN4O3 — CID 136666562

IUPAC2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)C(C)Oc3ccccc3F)CC2)n1
InChIInChI=1S/C19H23FN4O3/c1-12-11-17(25)23-19(21-12)24-9-7-14(8-10-24)22-18(26)13(2)27-16-6-4-3-5-15(16)20/h3-6,11,13-14H,7-10H2,1-2H3,(H,22,26)(H,21,23,25)
InChIKeyJGUOJCYLGQBLQN-UHFFFAOYSA-N
MW374.42 g/mol
LogP1.77
Rot. Bonds5

About 2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide

2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide (PubChem CID 136666562) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
PubChem CID136666562
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
SMILESCc1cc(=O)[nH]c(N2CCC(NC(=O)C(C)Oc3ccccc3F)CC2)n1
InChIInChI=1S/C19H23FN4O3/c1-12-11-17(25)23-19(21-12)24-9-7-14(8-10-24)22-18(26)13(2)27-16-6-4-3-5-15(16)20/h3-6,11,13-14H,7-10H2,1-2H3,(H,22,26)(H,21,23,25)
InChIKeyJGUOJCYLGQBLQN-UHFFFAOYSA-N
XLogP1.77
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 136662620
3,3,3-trifluoro-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide
CID 136962389
7-methoxy-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 136666518
(2R)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(1-phenylpiperidin-4-yl)propanamide
CID 137098613
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-3-(trifluoromethoxy)benzamide
CID 136666555
cis-(1R,3S)-3-[2-(2-fluorophenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320893
3-cyano-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]benzamide
CID 136662623
(2S)-2-(2-methylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 27232779
2-(2-fluorophenoxy)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352509
3-methoxy-1-methyl-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]pyrazole-4-carboxamide
CID 136962376
2-(2-fluorophenoxy)-N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 122294488
2-[4-(2-methoxyphenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 135465183

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide (CID 136666562) is 2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide is Cc1cc(=O)[nH]c(N2CCC(NC(=O)C(C)Oc3ccccc3F)CC2)n1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide?
The InChIKey is JGUOJCYLGQBLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-12-11-17(25)23-19(21-12)24-9-7-14(8-10-24)22-18(26)13(2)27-16-6-4-3-5-15(16)20/h3-6,11,13-14H,7-10H2,1-2H3,(H,22,26)(H,21,23,25).
What are the key properties of 2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide?
2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide has a molecular weight of 374.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 136666562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).