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

C24H25F2N3O2 — CID 4682977

IUPAC6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C24H25F2N3O2/c1-28-23(30)20(14-18-7-8-19(25)15-21(18)26)22(27-24(28)31)29-11-9-17(10-12-29)13-16-5-3-2-4-6-16/h2-8,15,17H,9-14H2,1H3,(H,27,31)
InChIKeyAHCLGZRNRLJWHM-UHFFFAOYSA-N
MW425.48 g/mol
LogP3.40
Rot. Bonds5

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

6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 4682977) has the molecular formula C24H25F2N3O2 and a molecular weight of 425.48 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID4682977
Molecular FormulaC24H25F2N3O2
Molecular Weight425.48 g/mol
Exact Mass425.19
IUPAC Name6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccc(F)cc2F)c1=O
InChIInChI=1S/C24H25F2N3O2/c1-28-23(30)20(14-18-7-8-19(25)15-21(18)26)22(27-24(28)31)29-11-9-17(10-12-29)13-16-5-3-2-4-6-16/h2-8,15,17H,9-14H2,1H3,(H,27,31)
InChIKeyAHCLGZRNRLJWHM-UHFFFAOYSA-N
XLogP3.40
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione (CID 4682977) is 6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)c(Cc2ccc(F)cc2F)c1=O.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is AHCLGZRNRLJWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O2/c1-28-23(30)20(14-18-7-8-19(25)15-21(18)26)22(27-24(28)31)29-11-9-17(10-12-29)13-16-5-3-2-4-6-16/h2-8,15,17H,9-14H2,1H3,(H,27,31).
What are the key properties of 6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione?
6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 425.48 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-5-[(2,4-difluorophenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 4682977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).