[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone

C19H24N4O2 — CID 124988037

IUPAC[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(C)Oc1ccc([C@@H]2CN(C(=O)c3cnccn3)CCN2C)cc1
InChIInChI=1S/C19H24N4O2/c1-14(2)25-16-6-4-15(5-7-16)18-13-23(11-10-22(18)3)19(24)17-12-20-8-9-21-17/h4-9,12,14,18H,10-11,13H2,1-3H3/t18-/m0/s1
InChIKeyOKGICFKPDMROEH-SFHVURJKSA-N
MW340.43 g/mol
LogP2.39
Rot. Bonds4

About [(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone

[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 124988037) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone
PubChem CID124988037
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(C)Oc1ccc([C@@H]2CN(C(=O)c3cnccn3)CCN2C)cc1
InChIInChI=1S/C19H24N4O2/c1-14(2)25-16-6-4-15(5-7-16)18-13-23(11-10-22(18)3)19(24)17-12-20-8-9-21-17/h4-9,12,14,18H,10-11,13H2,1-3H3/t18-/m0/s1
InChIKeyOKGICFKPDMROEH-SFHVURJKSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(6-pyrimidin-5-yl-2-pyridinyl)methanone
CID 110148966
[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-(3-pyrimidin-2-yloxyphenyl)methanone
CID 110149404
[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 124981776
3-methoxy-1-[4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]propan-1-one
CID 110109749
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108534701
2-(4-propan-2-ylphenoxy)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108536055
(4-methoxy-2-pyridinyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 90652453
2-(4-hydroxyphenoxy)-1-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108545528
1-[(3S)-3-phenyl-4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 124951880
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098385
(4-propan-2-yloxypiperidin-1-yl)-pyrazin-2-ylmethanone
CID 110744031

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone (CID 124988037) is [(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone is CC(C)Oc1ccc([C@@H]2CN(C(=O)c3cnccn3)CCN2C)cc1.
What is the InChIKey of [(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is OKGICFKPDMROEH-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14(2)25-16-6-4-15(5-7-16)18-13-23(11-10-22(18)3)19(24)17-12-20-8-9-21-17/h4-9,12,14,18H,10-11,13H2,1-3H3/t18-/m0/s1.
What are the key properties of [(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone?
[(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 340.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-methyl-3-(4-propan-2-yloxyphenyl)piperazin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 124988037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).