5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione

C22H22N4O5 — CID 121025855

IUPAC5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3c[nH]c(=O)n(Cc4ccco4)c3=O)CC2)cc1
InChIInChI=1S/C22H22N4O5/c1-15(27)16-4-6-17(7-5-16)24-8-10-25(11-9-24)20(28)19-13-23-22(30)26(21(19)29)14-18-3-2-12-31-18/h2-7,12-13H,8-11,14H2,1H3,(H,23,30)
InChIKeyMFIMNMHNQFMXSO-UHFFFAOYSA-N
MW422.44 g/mol
LogP1.34
Rot. Bonds5

About 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione

5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 121025855) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID121025855
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1ccc(N2CCN(C(=O)c3c[nH]c(=O)n(Cc4ccco4)c3=O)CC2)cc1
InChIInChI=1S/C22H22N4O5/c1-15(27)16-4-6-17(7-5-16)24-8-10-25(11-9-24)20(28)19-13-23-22(30)26(21(19)29)14-18-3-2-12-31-18/h2-7,12-13H,8-11,14H2,1H3,(H,23,30)
InChIKeyMFIMNMHNQFMXSO-UHFFFAOYSA-N
XLogP1.34
TPSA108.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-acetylpiperazine-1-carbonyl)-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121025767
5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 121026860
4-[3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 121025857
5-[4-(6-cyclopropylpyridazin-3-yl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 122279514
5-(4-acetylpiperazine-1-carbonyl)-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026137
N-cyclopropyl-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025792
3-(furan-2-ylmethyl)-2,4-dioxo-N-(2,4,6-trimethylphenyl)-1H-pyrimidine-5-carboxamide
CID 121025718
N-[(4-fluorophenyl)methyl]-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025715
N-ethyl-3-(furan-2-ylmethyl)-N-(2-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025966
3-(furan-2-ylmethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778379
N-(4-ethoxyphenyl)-3-(furan-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025706
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-(thiophen-2-ylmethyl)-1H-pyrimidine-2,4-dione
CID 121026015

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione (CID 121025855) is 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione is CC(=O)c1ccc(N2CCN(C(=O)c3c[nH]c(=O)n(Cc4ccco4)c3=O)CC2)cc1.
What is the InChIKey of 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is MFIMNMHNQFMXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-15(27)16-4-6-17(7-5-16)24-8-10-25(11-9-24)20(28)19-13-23-22(30)26(21(19)29)14-18-3-2-12-31-18/h2-7,12-13H,8-11,14H2,1H3,(H,23,30).
What are the key properties of 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione?
5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 422.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-(furan-2-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121025855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).