5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione

C24H27N3O2 — CID 4193542

IUPAC5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c1=O
InChIInChI=1S/C24H27N3O2/c1-26-23(28)21(17-19-10-6-3-7-11-19)22(25-24(26)29)27-14-12-20(13-15-27)16-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3,(H,25,29)
InChIKeyHHTWBYZBXRLCTP-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.12
Rot. Bonds5

About 5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione

5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 4193542) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID4193542
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c1=O
InChIInChI=1S/C24H27N3O2/c1-26-23(28)21(17-19-10-6-3-7-11-19)22(25-24(26)29)27-14-12-20(13-15-27)16-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3,(H,25,29)
InChIKeyHHTWBYZBXRLCTP-UHFFFAOYSA-N
XLogP3.12
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione (CID 4193542) is 5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccccc2)c1=O.
What is the InChIKey of 5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is HHTWBYZBXRLCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-26-23(28)21(17-19-10-6-3-7-11-19)22(25-24(26)29)27-14-12-20(13-15-27)16-18-8-4-2-5-9-18/h2-11,20H,12-17H2,1H3,(H,25,29).
What are the key properties of 5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione?
5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 389.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-(4-benzylpiperidin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4193542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).