3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one

C24H25N3O — CID 53137585

IUPAC3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C24H25N3O/c28-23(14-13-19-8-3-1-4-9-19)27-17-7-12-21(18-27)22-15-16-25-24(26-22)20-10-5-2-6-11-20/h1-6,8-11,15-16,21H,7,12-14,17-18H2
InChIKeyNFEIYNHQIGNEMY-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.48
Rot. Bonds5

About 3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one

3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one (PubChem CID 53137585) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
PubChem CID53137585
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCCC(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C24H25N3O/c28-23(14-13-19-8-3-1-4-9-19)27-17-7-12-21(18-27)22-15-16-25-24(26-22)20-10-5-2-6-11-20/h1-6,8-11,15-16,21H,7,12-14,17-18H2
InChIKeyNFEIYNHQIGNEMY-UHFFFAOYSA-N
XLogP4.48
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one (CID 53137585) is 3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCCC(c2ccnc(-c3ccccc3)n2)C1.
What is the InChIKey of 3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
The InChIKey is NFEIYNHQIGNEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c28-23(14-13-19-8-3-1-4-9-19)27-17-7-12-21(18-27)22-15-16-25-24(26-22)20-10-5-2-6-11-20/h1-6,8-11,15-16,21H,7,12-14,17-18H2.
What are the key properties of 3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one?
3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one has a molecular weight of 371.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 53137585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).