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

C16H21N5O4 — CID 91762023

IUPAC3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCc1nc(CC2CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)no1
InChIInChI=1S/C16H21N5O4/c1-10-18-13(19-25-10)7-11-3-5-21(6-4-11)14(22)8-12-9-17-16(24)20(2)15(12)23/h9,11H,3-8H2,1-2H3,(H,17,24)
InChIKeyXPGHYILAVUIBJK-UHFFFAOYSA-N
MW347.38 g/mol
LogP-0.21
Rot. Bonds4

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

3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 91762023) has the molecular formula C16H21N5O4 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID91762023
Molecular FormulaC16H21N5O4
Molecular Weight347.38 g/mol
Exact Mass347.16
IUPAC Name3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESCc1nc(CC2CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)no1
InChIInChI=1S/C16H21N5O4/c1-10-18-13(19-25-10)7-11-3-5-21(6-4-11)14(22)8-12-9-17-16(24)20(2)15(12)23/h9,11H,3-8H2,1-2H3,(H,17,24)
InChIKeyXPGHYILAVUIBJK-UHFFFAOYSA-N
XLogP-0.21
TPSA114.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 91762023) is 3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is Cc1nc(CC2CCN(C(=O)Cc3c[nH]c(=O)n(C)c3=O)CC2)no1.
What is the InChIKey of 3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is XPGHYILAVUIBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O4/c1-10-18-13(19-25-10)7-11-3-5-21(6-4-11)14(22)8-12-9-17-16(24)20(2)15(12)23/h9,11H,3-8H2,1-2H3,(H,17,24).
What are the key properties of 3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 347.38 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 91762023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).