5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione

C22H23N3O2 — CID 11530605

IUPAC5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(N2CCC(c3ccccc3)CC2)c(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C22H23N3O2/c26-21-19(15-16-7-3-1-4-8-16)20(23-22(27)24-21)25-13-11-18(12-14-25)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H2,23,24,26,27)
InChIKeyQKBURCBWLIXXPH-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.04
Rot. Bonds4

About 5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione

5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 11530605) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID11530605
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(N2CCC(c3ccccc3)CC2)c(Cc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C22H23N3O2/c26-21-19(15-16-7-3-1-4-8-16)20(23-22(27)24-21)25-13-11-18(12-14-25)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H2,23,24,26,27)
InChIKeyQKBURCBWLIXXPH-UHFFFAOYSA-N
XLogP3.04
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione (CID 11530605) is 5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(N2CCC(c3ccccc3)CC2)c(Cc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is QKBURCBWLIXXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c26-21-19(15-16-7-3-1-4-8-16)20(23-22(27)24-21)25-13-11-18(12-14-25)17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H2,23,24,26,27).
What are the key properties of 5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione?
5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 361.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-(4-phenylpiperidin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11530605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).