3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile

C18H19N5O2 — CID 122149668

IUPAC3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1ccc(O)c(C(=O)N2CCN(c3nccnc3C#N)CC2C)c1
InChIInChI=1S/C18H19N5O2/c1-12-3-4-16(24)14(9-12)18(25)23-8-7-22(11-13(23)2)17-15(10-19)20-5-6-21-17/h3-6,9,13,24H,7-8,11H2,1-2H3
InChIKeyWDIPTJMPHIOWSA-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.71
Rot. Bonds2

About 3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile

3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 122149668) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID122149668
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
SMILESCc1ccc(O)c(C(=O)N2CCN(c3nccnc3C#N)CC2C)c1
InChIInChI=1S/C18H19N5O2/c1-12-3-4-16(24)14(9-12)18(25)23-8-7-22(11-13(23)2)17-15(10-19)20-5-6-21-17/h3-6,9,13,24H,7-8,11H2,1-2H3
InChIKeyWDIPTJMPHIOWSA-UHFFFAOYSA-N
XLogP1.71
TPSA93.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3S)-4-[3-[(4-fluorophenyl)methoxy]benzoyl]-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 97024676
3-[(3R)-4-[2-(4-ethoxyphenyl)sulfanylacetyl]-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 97029792
(3-hydroxy-2-methylphenyl)-[2-methyl-4-(4-methylphenyl)piperazin-1-yl]methanone
CID 70736458
3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 124616217
3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile
CID 100592511
1-(3-cyanopyrazin-2-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133283658
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 79039544
2-[3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-5-(3-methylphenyl)-6-propan-2-ylpyridine-3-carbonitrile
CID 71118558
3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 2822709
3-[3-methyl-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 136517014
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125
1-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-4-(3-cyanopyrazin-2-yl)piperazine-2-carboxamide
CID 58826354

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile (CID 122149668) is 3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile is Cc1ccc(O)c(C(=O)N2CCN(c3nccnc3C#N)CC2C)c1.
What is the InChIKey of 3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is WDIPTJMPHIOWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-3-4-16(24)14(9-12)18(25)23-8-7-22(11-13(23)2)17-15(10-19)20-5-6-21-17/h3-6,9,13,24H,7-8,11H2,1-2H3.
What are the key properties of 3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile?
3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 337.38 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 122149668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).