2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone

C18H21ClN4O2 — CID 133464156

IUPAC2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCCOc1cc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)ncn1
InChIInChI=1S/C18H21ClN4O2/c1-2-25-17-12-16(20-13-21-17)22-7-9-23(10-8-22)18(24)11-14-5-3-4-6-15(14)19/h3-6,12-13H,2,7-11H2,1H3
InChIKeyBXZMRWOGGQAYQM-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.42
Rot. Bonds5

About 2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone

2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 133464156) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID133464156
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC Name2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCCOc1cc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)ncn1
InChIInChI=1S/C18H21ClN4O2/c1-2-25-17-12-16(20-13-21-17)22-7-9-23(10-8-22)18(24)11-14-5-3-4-6-15(14)19/h3-6,12-13H,2,7-11H2,1H3
InChIKeyBXZMRWOGGQAYQM-UHFFFAOYSA-N
XLogP2.42
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122337187
2-(2-chlorophenyl)-1-[4-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 133299005
2-(2-methylphenyl)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 133300459
2-(2-chlorophenyl)-1-[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122341006
6-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 60551458
cyclopropyl-[4-(6-ethoxypyrimidin-4-yl)-1,4-diazepan-1-yl]methanone
CID 133498837
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 121106819
2-(2-chlorophenyl)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335184
2-(2-chlorophenyl)-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 56528341
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 16883527
4-(2-chlorophenoxy)-1-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 108755402
2-(2-chlorophenyl)-1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122345835

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone (CID 133464156) is 2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone is CCOc1cc(N2CCN(C(=O)Cc3ccccc3Cl)CC2)ncn1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is BXZMRWOGGQAYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-2-25-17-12-16(20-13-21-17)22-7-9-23(10-8-22)18(24)11-14-5-3-4-6-15(14)19/h3-6,12-13H,2,7-11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 360.85 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 133464156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).