3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione

C25H26FN3O3 — CID 14892174

IUPAC3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCn2c(=O)[nH]cc(-c3ccccc3)c2=O)CC1
InChIInChI=1S/C25H26FN3O3/c26-21-9-7-19(8-10-21)23(30)20-11-15-28(16-12-20)13-4-14-29-24(31)22(17-27-25(29)32)18-5-2-1-3-6-18/h1-3,5-10,17,20H,4,11-16H2,(H,27,32)
InChIKeyMOVOOQFCSASNAY-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.33
Rot. Bonds7

About 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione

3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 14892174) has the molecular formula C25H26FN3O3 and a molecular weight of 435.50 g/mol. Its IUPAC name is 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione
PubChem CID14892174
Molecular FormulaC25H26FN3O3
Molecular Weight435.50 g/mol
Exact Mass435.20
IUPAC Name3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccc(F)cc1)C1CCN(CCCn2c(=O)[nH]cc(-c3ccccc3)c2=O)CC1
InChIInChI=1S/C25H26FN3O3/c26-21-9-7-19(8-10-21)23(30)20-11-15-28(16-12-20)13-4-14-29-24(31)22(17-27-25(29)32)18-5-2-1-3-6-18/h1-3,5-10,17,20H,4,11-16H2,(H,27,32)
InChIKeyMOVOOQFCSASNAY-UHFFFAOYSA-N
XLogP3.33
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione (CID 14892174) is 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione is O=C(c1ccc(F)cc1)C1CCN(CCCn2c(=O)[nH]cc(-c3ccccc3)c2=O)CC1.
What is the InChIKey of 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is MOVOOQFCSASNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O3/c26-21-9-7-19(8-10-21)23(30)20-11-15-28(16-12-20)13-4-14-29-24(31)22(17-27-25(29)32)18-5-2-1-3-6-18/h1-3,5-10,17,20H,4,11-16H2,(H,27,32).
What are the key properties of 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione?
3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 435.50 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 14892174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).