2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide

C19H23FN4O2 — CID 124987350

IUPAC2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide
SMILESCN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN4O2/c1-23(17(25)12-15-4-6-16(20)7-5-15)13-19(26)8-2-11-24(14-19)18-21-9-3-10-22-18/h3-7,9-10,26H,2,8,11-14H2,1H3/t19-/m0/s1
InChIKeyOFASBFCUVRFMFQ-IBGZPJMESA-N
MW358.42 g/mol
LogP1.65
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide

2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide (PubChem CID 124987350) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide
PubChem CID124987350
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide
SMILESCN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C19H23FN4O2/c1-23(17(25)12-15-4-6-16(20)7-5-15)13-19(26)8-2-11-24(14-19)18-21-9-3-10-22-18/h3-7,9-10,26H,2,8,11-14H2,1H3/t19-/m0/s1
InChIKeyOFASBFCUVRFMFQ-IBGZPJMESA-N
XLogP1.65
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-thiophen-3-ylacetamide
CID 125010093
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123597
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 124980570
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 110123611
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123853
3-(2-fluorophenyl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methylpropanamide
CID 124961173
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 110123702
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide
CID 110123706
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 124991776
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-2-(methylamino)acetamide
CID 110123986
N-[(3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-phenoxypropanamide
CID 110123966
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110123631

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide (CID 124987350) is 2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide is CN(C[C@@]1(O)CCCN(c2ncccn2)C1)C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide?
The InChIKey is OFASBFCUVRFMFQ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-23(17(25)12-15-4-6-16(20)7-5-15)13-19(26)8-2-11-24(14-19)18-21-9-3-10-22-18/h3-7,9-10,26H,2,8,11-14H2,1H3/t19-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide?
2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide has a molecular weight of 358.42 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 124987350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).