(3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one

C25H27FN4O2 — CID 95811931

IUPAC(3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one
SMILESCc1ccnn1CCC(=O)N1CCN(C)C(=O)[C@H]1Cc1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C25H27FN4O2/c1-18-11-13-27-30(18)14-12-24(31)29-16-15-28(2)25(32)23(29)17-20-5-3-4-6-22(20)19-7-9-21(26)10-8-19/h3-11,13,23H,12,14-17H2,1-2H3/t23-/m1/s1
InChIKeyZEMRZWQDFBZRET-HSZRJFAPSA-N
MW434.52 g/mol
LogP3.30
Rot. Bonds6

About (3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one

(3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one (PubChem CID 95811931) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is (3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one
PubChem CID95811931
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name(3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one
SMILESCc1ccnn1CCC(=O)N1CCN(C)C(=O)[C@H]1Cc1ccccc1-c1ccc(F)cc1
InChIInChI=1S/C25H27FN4O2/c1-18-11-13-27-30(18)14-12-24(31)29-16-15-28(2)25(32)23(29)17-20-5-3-4-6-22(20)19-7-9-21(26)10-8-19/h3-11,13,23H,12,14-17H2,1-2H3/t23-/m1/s1
InChIKeyZEMRZWQDFBZRET-HSZRJFAPSA-N
XLogP3.30
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxypyridine-4-carbonyl)-1-methylpiperazin-2-one
CID 125026438
1-ethyl-3-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)piperazin-2-one
CID 110088248
(3S)-3-[[2-(3,5-difluorophenyl)phenyl]methyl]-1-methyl-4-(5-methylpyrazine-2-carbonyl)piperazin-2-one
CID 95811942
(3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-propylpiperazin-2-one
CID 129458255
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 77090927
4-[3-(5-methylpyrazol-1-yl)propanoyl]-1-propyl-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250582
4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110088259
(3R)-1-methyl-4-(1-methylbenzimidazole-5-carbonyl)-3-[(2-phenylphenyl)methyl]piperazin-2-one
CID 95811889
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 124963523
(3R)-4-(cyclopentanecarbonyl)-3-[[2-(2-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
CID 125004408
1-[(3S,3aR,7aR)-3-(4-fluorophenyl)-4-methyl-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 92562781
4-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)butanoyl]-3-[[2-(4-fluorophenyl)phenyl]methyl]piperazin-2-one
CID 110250456

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one?
The IUPAC name of (3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one (CID 95811931) is (3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one?
The canonical SMILES for (3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one is Cc1ccnn1CCC(=O)N1CCN(C)C(=O)[C@H]1Cc1ccccc1-c1ccc(F)cc1.
What is the InChIKey of (3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one?
The InChIKey is ZEMRZWQDFBZRET-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-18-11-13-27-30(18)14-12-24(31)29-16-15-28(2)25(32)23(29)17-20-5-3-4-6-22(20)19-7-9-21(26)10-8-19/h3-11,13,23H,12,14-17H2,1-2H3/t23-/m1/s1.
What are the key properties of (3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one?
(3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one has a molecular weight of 434.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(4-fluorophenyl)phenyl]methyl]-1-methyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]piperazin-2-one is sourced from PubChem (CID 95811931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).