4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide

C15H21N5O5 — CID 22594021

IUPAC4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
SMILESCC(C)(CC(=O)N1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1)C(N)=O
InChIInChI=1S/C15H21N5O5/c1-15(2,13(16)24)8-11(22)19-3-5-20(6-4-19)12(23)9-7-10(21)18-14(25)17-9/h7H,3-6,8H2,1-2H3,(H2,16,24)(H2,17,18,21,25)
InChIKeyAIYMAVBTJFNUJB-UHFFFAOYSA-N
MW351.36 g/mol
LogP-1.75
Rot. Bonds4

About 4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide

4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide (PubChem CID 22594021) has the molecular formula C15H21N5O5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
PubChem CID22594021
Molecular FormulaC15H21N5O5
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC Name4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
SMILESCC(C)(CC(=O)N1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1)C(N)=O
InChIInChI=1S/C15H21N5O5/c1-15(2,13(16)24)8-11(22)19-3-5-20(6-4-19)12(23)9-7-10(21)18-14(25)17-9/h7H,3-6,8H2,1-2H3,(H2,16,24)(H2,17,18,21,25)
InChIKeyAIYMAVBTJFNUJB-UHFFFAOYSA-N
XLogP-1.75
TPSA149.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 5-1.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide?
The IUPAC name of 4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide (CID 22594021) is 4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide.
What is the SMILES notation for 4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide?
The canonical SMILES for 4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide is CC(C)(CC(=O)N1CCN(C(=O)c2cc(=O)[nH]c(=O)[nH]2)CC1)C(N)=O.
What is the InChIKey of 4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide?
The InChIKey is AIYMAVBTJFNUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O5/c1-15(2,13(16)24)8-11(22)19-3-5-20(6-4-19)12(23)9-7-10(21)18-14(25)17-9/h7H,3-6,8H2,1-2H3,(H2,16,24)(H2,17,18,21,25).
What are the key properties of 4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide?
4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide has a molecular weight of 351.36 g/mol, XLogP of -1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dioxo-1H-pyrimidine-6-carbonyl)piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide is sourced from PubChem (CID 22594021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).