1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone

C19H24N4O2 — CID 124948692

IUPAC1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@@H]1CN(Cc2ccnc(C)n2)CCN1C(C)=O
InChIInChI=1S/C19H24N4O2/c1-14-20-9-8-16(21-14)12-22-10-11-23(15(2)24)18(13-22)17-6-4-5-7-19(17)25-3/h4-9,18H,10-13H2,1-3H3/t18-/m0/s1
InChIKeyCOUGSPDYMMNSDF-SFHVURJKSA-N
MW340.43 g/mol
LogP2.20
Rot. Bonds4

About 1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone

1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 124948692) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID124948692
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@@H]1CN(Cc2ccnc(C)n2)CCN1C(C)=O
InChIInChI=1S/C19H24N4O2/c1-14-20-9-8-16(21-14)12-22-10-11-23(15(2)24)18(13-22)17-6-4-5-7-19(17)25-3/h4-9,18H,10-13H2,1-3H3/t18-/m0/s1
InChIKeyCOUGSPDYMMNSDF-SFHVURJKSA-N
XLogP2.20
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone (CID 124948692) is 1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone is COc1ccccc1[C@@H]1CN(Cc2ccnc(C)n2)CCN1C(C)=O.
What is the InChIKey of 1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is COUGSPDYMMNSDF-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-20-9-8-16(21-14)12-22-10-11-23(15(2)24)18(13-22)17-6-4-5-7-19(17)25-3/h4-9,18H,10-13H2,1-3H3/t18-/m0/s1.
What are the key properties of 1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone?
1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 340.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2-methoxyphenyl)-4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 124948692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).