3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one

C19H24N4O2 — CID 121064280

IUPAC3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one
SMILESCCc1cc(=O)n(CC(=O)N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C19H24N4O2/c1-2-17-12-18(24)23(15-20-17)14-19(25)22-10-8-21(9-11-22)13-16-6-4-3-5-7-16/h3-7,12,15H,2,8-11,13-14H2,1H3
InChIKeyVHDULSKEXWACNK-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.15
Rot. Bonds5

About 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one

3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one (PubChem CID 121064280) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one
PubChem CID121064280
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one
SMILESCCc1cc(=O)n(CC(=O)N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C19H24N4O2/c1-2-17-12-18(24)23(15-20-17)14-19(25)22-10-8-21(9-11-22)13-16-6-4-3-5-7-16/h3-7,12,15H,2,8-11,13-14H2,1H3
InChIKeyVHDULSKEXWACNK-UHFFFAOYSA-N
XLogP1.15
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one
CID 121064409
6-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121064411
3-[2-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-ethylpyrimidin-4-one
CID 121064390
N,N-dibenzyl-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064379
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-5-bromopyridin-2-one
CID 37317226
4-benzyl-2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-5-methyl-1,2,4-triazol-3-one
CID 70718408
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121063511
2-(azepan-1-yl)-1-(4-benzylpiperazin-1-yl)ethanone
CID 109002010
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-3-methylpyrazol-1-yl)ethanone
CID 19289275
1-(4-benzylpiperazin-1-yl)-2-(5-methyl-3-nitropyrazol-1-yl)ethanone
CID 671632

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one?
The IUPAC name of 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one (CID 121064280) is 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one is CCc1cc(=O)n(CC(=O)N2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one?
The InChIKey is VHDULSKEXWACNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-17-12-18(24)23(15-20-17)14-19(25)22-10-8-21(9-11-22)13-16-6-4-3-5-7-16/h3-7,12,15H,2,8-11,13-14H2,1H3.
What are the key properties of 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one?
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one has a molecular weight of 340.43 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one is sourced from PubChem (CID 121064280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).