5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione

C23H25N3O3 — CID 134138601

IUPAC5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione
SMILESCc1cn(C2CCCN(Cc3ccc(Oc4ccccc4)cc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C23H25N3O3/c1-17-14-26(23(28)24-22(17)27)19-6-5-13-25(16-19)15-18-9-11-21(12-10-18)29-20-7-3-2-4-8-20/h2-4,7-12,14,19H,5-6,13,15-16H2,1H3,(H,24,27,28)
InChIKeyRTNFYRILHRUUMI-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.47
Rot. Bonds5

About 5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione

5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione (PubChem CID 134138601) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione
PubChem CID134138601
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione
SMILESCc1cn(C2CCCN(Cc3ccc(Oc4ccccc4)cc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C23H25N3O3/c1-17-14-26(23(28)24-22(17)27)19-6-5-13-25(16-19)15-18-9-11-21(12-10-18)29-20-7-3-2-4-8-20/h2-4,7-12,14,19H,5-6,13,15-16H2,1H3,(H,24,27,28)
InChIKeyRTNFYRILHRUUMI-UHFFFAOYSA-N
XLogP3.47
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione (CID 134138601) is 5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione is Cc1cn(C2CCCN(Cc3ccc(Oc4ccccc4)cc3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione?
The InChIKey is RTNFYRILHRUUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-14-26(23(28)24-22(17)27)19-6-5-13-25(16-19)15-18-9-11-21(12-10-18)29-20-7-3-2-4-8-20/h2-4,7-12,14,19H,5-6,13,15-16H2,1H3,(H,24,27,28).
What are the key properties of 5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione?
5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione has a molecular weight of 391.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[1-[(4-phenoxyphenyl)methyl]piperidin-3-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 134138601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).