3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile

C19H21N5O — CID 124616217

IUPAC3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESC[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-15-14-24(19-17(13-20)21-8-9-22-19)12-11-23(15)10-7-18(25)16-5-3-2-4-6-16/h2-6,8-9,15H,7,10-12,14H2,1H3/t15-/m1/s1
InChIKeyUYPITJJFDOBULC-OAHLLOKOSA-N
MW335.41 g/mol
LogP2.13
Rot. Bonds5

About 3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile

3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 124616217) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID124616217
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESC[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-15-14-24(19-17(13-20)21-8-9-22-19)12-11-23(15)10-7-18(25)16-5-3-2-4-6-16/h2-6,8-9,15H,7,10-12,14H2,1H3/t15-/m1/s1
InChIKeyUYPITJJFDOBULC-OAHLLOKOSA-N
XLogP2.13
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-3-methyl-4-[(2-nitrophenyl)methyl]piperazin-1-yl]pyrazine-2-carbonitrile
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3-[(3S)-4-[3-[(4-fluorophenyl)methoxy]benzoyl]-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
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3-[1-(3-cyanopyrazin-2-yl)piperidin-3-yl]propanoic acid
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2-[(3S)-4-[(2R)-2-hydroxy-2-phenylethyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 95321302
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 56778013
3-[4-(2-hydroxy-5-methylbenzoyl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
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3-[(3R)-4-[2-(4-ethoxyphenyl)sulfanylacetyl]-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
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3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-one
CID 103935807
3-[1-(4-oxo-4-phenylbutanoyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 90636451
3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)-3-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 133419744
3-[(6S)-6-hydroxy-4-pyridin-4-yl-1,4-diazepan-1-yl]pyrazine-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 124616217) is 3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile is C[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)c1ccccc1.
What is the InChIKey of 3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is UYPITJJFDOBULC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-15-14-24(19-17(13-20)21-8-9-22-19)12-11-23(15)10-7-18(25)16-5-3-2-4-6-16/h2-6,8-9,15H,7,10-12,14H2,1H3/t15-/m1/s1.
What are the key properties of 3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile?
3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 335.41 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-methyl-4-(3-oxo-3-phenylpropyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 124616217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).