1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone

C21H28N4O2 — CID 60550304

IUPAC1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
SMILESCOc1ccnc(N2CCN(C(=O)Cc3ccc(CC(C)C)cc3)CC2)n1
InChIInChI=1S/C21H28N4O2/c1-16(2)14-17-4-6-18(7-5-17)15-20(26)24-10-12-25(13-11-24)21-22-9-8-19(23-21)27-3/h4-9,16H,10-15H2,1-3H3
InChIKeyDEBNTILFYAKWTP-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.58
Rot. Bonds6

About 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone

1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone (PubChem CID 60550304) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
PubChem CID60550304
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
SMILESCOc1ccnc(N2CCN(C(=O)Cc3ccc(CC(C)C)cc3)CC2)n1
InChIInChI=1S/C21H28N4O2/c1-16(2)14-17-4-6-18(7-5-17)15-20(26)24-10-12-25(13-11-24)21-22-9-8-19(23-21)27-3/h4-9,16H,10-15H2,1-3H3
InChIKeyDEBNTILFYAKWTP-UHFFFAOYSA-N
XLogP2.58
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95159800
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 60550260
1-[4-(4-chloropyrimidin-2-yl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)ethanone
CID 139532120
3-(1,3-benzodioxol-5-yl)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-1-one
CID 77088462
(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95589754
(2R)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]propan-2-ol
CID 133486239
(2R)-1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2-methylbutan-1-one
CID 95289879
1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133282780
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
(2S)-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 94669112
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 56799033
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone?
The IUPAC name of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone (CID 60550304) is 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone?
The canonical SMILES for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone is COc1ccnc(N2CCN(C(=O)Cc3ccc(CC(C)C)cc3)CC2)n1.
What is the InChIKey of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone?
The InChIKey is DEBNTILFYAKWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-16(2)14-17-4-6-18(7-5-17)15-20(26)24-10-12-25(13-11-24)21-22-9-8-19(23-21)27-3/h4-9,16H,10-15H2,1-3H3.
What are the key properties of 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone?
1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone has a molecular weight of 368.48 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone is sourced from PubChem (CID 60550304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).