6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one

C22H21FN4O2 — CID 110332244

IUPAC6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one
SMILESO=C(c1cc(-c2ccc(F)cc2)nc(=O)[nH]1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H21FN4O2/c23-18-8-6-17(7-9-18)19-14-20(25-22(29)24-19)21(28)27-12-10-26(11-13-27)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,24,25,29)
InChIKeyMVGYYGPQYSNFKY-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.53
Rot. Bonds4

About 6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one

6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one (PubChem CID 110332244) has the molecular formula C22H21FN4O2 and a molecular weight of 392.43 g/mol. Its IUPAC name is 6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one
PubChem CID110332244
Molecular FormulaC22H21FN4O2
Molecular Weight392.43 g/mol
Exact Mass392.16
IUPAC Name6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one
SMILESO=C(c1cc(-c2ccc(F)cc2)nc(=O)[nH]1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H21FN4O2/c23-18-8-6-17(7-9-18)19-14-20(25-22(29)24-19)21(28)27-12-10-26(11-13-27)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,24,25,29)
InChIKeyMVGYYGPQYSNFKY-UHFFFAOYSA-N
XLogP2.53
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
6-(4-methylpiperazine-1-carbonyl)-4-phenyl-1H-pyrimidin-2-one
CID 110332074
4-(4-chlorophenyl)-6-(piperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332289
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 19514998
ethyl 4-[4-(4-chlorophenyl)-2-oxo-1H-pyrimidine-6-carbonyl]piperazine-1-carboxylate
CID 110332311
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
CID 1146207
(4-benzylpiperazin-1-yl)-[5-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanylmethyl]furan-2-yl]methanone
CID 30859853
4-(4-methoxyphenyl)-6-(4-methylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
CID 110295361
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515184
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515200
4-(4-methylphenyl)-6-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-2-one
CID 110332158
[3-(2,4-dichlorophenyl)-1H-pyrazol-5-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19515045

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one (CID 110332244) is 6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one is O=C(c1cc(-c2ccc(F)cc2)nc(=O)[nH]1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one?
The InChIKey is MVGYYGPQYSNFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O2/c23-18-8-6-17(7-9-18)19-14-20(25-22(29)24-19)21(28)27-12-10-26(11-13-27)15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,24,25,29).
What are the key properties of 6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one?
6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one has a molecular weight of 392.43 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazine-1-carbonyl)-4-(4-fluorophenyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 110332244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).