1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one

C19H22FN3O — CID 53137678

IUPAC1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(c2ccnc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C19H22FN3O/c1-13(2)19(24)23-11-3-4-15(12-23)17-9-10-21-18(22-17)14-5-7-16(20)8-6-14/h5-10,13,15H,3-4,11-12H2,1-2H3
InChIKeyGYZKGGKEEHEKSF-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.64
Rot. Bonds3

About 1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one

1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 53137678) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one
PubChem CID53137678
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC(c2ccnc(-c3ccc(F)cc3)n2)C1
InChIInChI=1S/C19H22FN3O/c1-13(2)19(24)23-11-3-4-15(12-23)17-9-10-21-18(22-17)14-5-7-16(20)8-6-14/h5-10,13,15H,3-4,11-12H2,1-2H3
InChIKeyGYZKGGKEEHEKSF-UHFFFAOYSA-N
XLogP3.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-6-(4-(5-(3,5-difluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbonyl)piperidin-1-yl)pyrimidine-4-carbonitrile
CID 134521814
4-(4-Acetyl-1-piperazinyl)quinazoline
CID 594152
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
(3-Fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
CID 76283989
2-[(2R)-4-(2-fluorophenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005631
2-[(2R)-4-(3-fluorophenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005985
2-[(2R)-4-(4-fluorophenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005986
2-Benzyl-4-methylpyrimidine
CID 915660
1-Methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea
CID 2819605
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (3-trifluoromethyl-phenyl)-amide
CID 655169
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 118716418
N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 118716420

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one (CID 53137678) is 1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CCCC(c2ccnc(-c3ccc(F)cc3)n2)C1.
What is the InChIKey of 1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is GYZKGGKEEHEKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-13(2)19(24)23-11-3-4-15(12-23)17-9-10-21-18(22-17)14-5-7-16(20)8-6-14/h5-10,13,15H,3-4,11-12H2,1-2H3.
What are the key properties of 1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one?
1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 327.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 53137678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).