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

C18H26N4O4 — CID 70752985

IUPAC5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCC(CCN3CCCC3=O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H26N4O4/c1-13-11-22(18(26)19-17(13)25)12-16(24)21-9-5-14(6-10-21)4-8-20-7-2-3-15(20)23/h11,14H,2-10,12H2,1H3,(H,19,25,26)
InChIKeyDJYMXTFDOHFEPN-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.10
Rot. Bonds5

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

5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione (PubChem CID 70752985) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione
PubChem CID70752985
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione
SMILESCc1cn(CC(=O)N2CCC(CCN3CCCC3=O)CC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H26N4O4/c1-13-11-22(18(26)19-17(13)25)12-16(24)21-9-5-14(6-10-21)4-8-20-7-2-3-15(20)23/h11,14H,2-10,12H2,1H3,(H,19,25,26)
InChIKeyDJYMXTFDOHFEPN-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione (CID 70752985) is 5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione is Cc1cn(CC(=O)N2CCC(CCN3CCCC3=O)CC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione?
The InChIKey is DJYMXTFDOHFEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-13-11-22(18(26)19-17(13)25)12-16(24)21-9-5-14(6-10-21)4-8-20-7-2-3-15(20)23/h11,14H,2-10,12H2,1H3,(H,19,25,26).
What are the key properties of 5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione?
5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione has a molecular weight of 362.43 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-oxo-2-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 70752985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).