6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione

C16H18N4O3 — CID 110700033

IUPAC6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H18N4O3/c21-14-10-12(17-16(23)18-14)11-15(22)20-8-6-19(7-9-20)13-4-2-1-3-5-13/h1-5,10H,6-9,11H2,(H2,17,18,21,23)
InChIKeyMMXCJVASSCJLAP-UHFFFAOYSA-N
MW314.35 g/mol
LogP-0.05
Rot. Bonds3

About 6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione

6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 110700033) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID110700033
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H18N4O3/c21-14-10-12(17-16(23)18-14)11-15(22)20-8-6-19(7-9-20)13-4-2-1-3-5-13/h1-5,10H,6-9,11H2,(H2,17,18,21,23)
InChIKeyMMXCJVASSCJLAP-UHFFFAOYSA-N
XLogP-0.05
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 110700048
6-[[5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
CID 4106466
2-benzylsulfanyl-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one
CID 136615618
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 110700131
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7595587
2-(4-aminophenyl)-1-(4-phenylpiperazin-1-yl)ethanone;dihydrochloride
CID 119826832
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazolidine-3,5-dione
CID 110703260
2-(2-methyl-1H-indol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 31853042
6-[[5-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]-1H-pyrimidine-2,4-dione
CID 4620191
2-isocyano-1-(4-phenylpiperazin-1-yl)ethanone
CID 10900412

Frequently Asked Questions

What is the IUPAC name of 6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione (CID 110700033) is 6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MMXCJVASSCJLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c21-14-10-12(17-16(23)18-14)11-15(22)20-8-6-19(7-9-20)13-4-2-1-3-5-13/h1-5,10H,6-9,11H2,(H2,17,18,21,23).
What are the key properties of 6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione?
6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 314.35 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 110700033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).