5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one

C21H26FN5O2 — CID 154830682

IUPAC5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one
SMILESCN1CCCC(C(=O)N2CCN(c3nc(-c4ccccc4)c(F)c(=O)[nH]3)CC2)C1
InChIInChI=1S/C21H26FN5O2/c1-25-9-5-8-16(14-25)20(29)26-10-12-27(13-11-26)21-23-18(17(22)19(28)24-21)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,23,24,28)
InChIKeyYFPWJEOWQLXZMR-UHFFFAOYSA-N
MW399.47 g/mol
LogP1.57
Rot. Bonds3

About 5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one

5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one (PubChem CID 154830682) has the molecular formula C21H26FN5O2 and a molecular weight of 399.47 g/mol. Its IUPAC name is 5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one
PubChem CID154830682
Molecular FormulaC21H26FN5O2
Molecular Weight399.47 g/mol
Exact Mass399.21
IUPAC Name5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one
SMILESCN1CCCC(C(=O)N2CCN(c3nc(-c4ccccc4)c(F)c(=O)[nH]3)CC2)C1
InChIInChI=1S/C21H26FN5O2/c1-25-9-5-8-16(14-25)20(29)26-10-12-27(13-11-26)21-23-18(17(22)19(28)24-21)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,23,24,28)
InChIKeyYFPWJEOWQLXZMR-UHFFFAOYSA-N
XLogP1.57
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
7-[(3R)-1-methylpiperidine-3-carbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136733959
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488
2-(azepan-1-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764405
[4-(3-chlorophenyl)piperazin-1-yl]-[(3S)-1-methylpiperidin-3-yl]methanone
CID 96588891
[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92716106
5-fluoro-2-[4-(oxane-4-carbonyl)piperazin-1-yl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 154830598
[4-[(1S)-1-(2-methoxyphenyl)ethyl]piperazin-1-yl]-[(3R)-1-methylpiperidin-3-yl]methanone
CID 97219717
1'-[(3R)-1-methylpiperidine-3-carbonyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 97126721
1-ethyl-3-[(3R)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]quinoxalin-2-one
CID 30451481
[3-(4-fluorophenyl)azepan-1-yl]-(1-methylpiperidin-3-yl)methanone
CID 90608723
cyclopropyl-[3-[4-(2-phenylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 56537293

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one (CID 154830682) is 5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one is CN1CCCC(C(=O)N2CCN(c3nc(-c4ccccc4)c(F)c(=O)[nH]3)CC2)C1.
What is the InChIKey of 5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is YFPWJEOWQLXZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O2/c1-25-9-5-8-16(14-25)20(29)26-10-12-27(13-11-26)21-23-18(17(22)19(28)24-21)15-6-3-2-4-7-15/h2-4,6-7,16H,5,8-14H2,1H3,(H,23,24,28).
What are the key properties of 5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one?
5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 399.47 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(1-methylpiperidine-3-carbonyl)piperazin-1-yl]-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 154830682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).