3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

C18H26N4O4 — CID 70732942

IUPAC3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCCCC2CCN2CCCC2=O)c1=O
InChIInChI=1S/C18H26N4O4/c1-20-17(25)13(12-19-18(20)26)11-16(24)22-9-3-2-5-14(22)7-10-21-8-4-6-15(21)23/h12,14H,2-11H2,1H3,(H,19,26)
InChIKeyVAHFYGCWRWXNGZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.01
Rot. Bonds5

About 3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione

3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 70732942) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID70732942
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(CC(=O)N2CCCCC2CCN2CCCC2=O)c1=O
InChIInChI=1S/C18H26N4O4/c1-20-17(25)13(12-19-18(20)26)11-16(24)22-9-3-2-5-14(22)7-10-21-8-4-6-15(21)23/h12,14H,2-11H2,1H3,(H,19,26)
InChIKeyVAHFYGCWRWXNGZ-UHFFFAOYSA-N
XLogP0.01
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione (CID 70732942) is 3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(CC(=O)N2CCCCC2CCN2CCCC2=O)c1=O.
What is the InChIKey of 3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VAHFYGCWRWXNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-20-17(25)13(12-19-18(20)26)11-16(24)22-9-3-2-5-14(22)7-10-21-8-4-6-15(21)23/h12,14H,2-11H2,1H3,(H,19,26).
What are the key properties of 3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione?
3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[2-oxo-2-[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70732942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).