6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

C17H20N4O3 — CID 2149954

IUPAC6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N4O3/c22-15-10-14(18-17(24)19-15)11-16(23)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H2,18,19,22,24)
InChIKeyFBHHGKOZHGNAHD-UHFFFAOYSA-N
MW328.37 g/mol
LogP-0.05
Rot. Bonds4

About 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione

6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (PubChem CID 2149954) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
PubChem CID2149954
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N4O3/c22-15-10-14(18-17(24)19-15)11-16(23)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H2,18,19,22,24)
InChIKeyFBHHGKOZHGNAHD-UHFFFAOYSA-N
XLogP-0.05
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione (CID 2149954) is 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FBHHGKOZHGNAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-15-10-14(18-17(24)19-15)11-16(23)21-8-6-20(7-9-21)12-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H2,18,19,22,24).
What are the key properties of 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione?
6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 328.37 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2149954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).