4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile

C15H19N3O — CID 91649815

IUPAC4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile
SMILESCC(C(=O)N1CCN(C)CC1C#N)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-12(13-6-4-3-5-7-13)15(19)18-9-8-17(2)11-14(18)10-16/h3-7,12,14H,8-9,11H2,1-2H3
InChIKeyCOUURHFYTYZYPU-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.46
Rot. Bonds2

About 4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile

4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile (PubChem CID 91649815) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile
PubChem CID91649815
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile
SMILESCC(C(=O)N1CCN(C)CC1C#N)c1ccccc1
InChIInChI=1S/C15H19N3O/c1-12(13-6-4-3-5-7-13)15(19)18-9-8-17(2)11-14(18)10-16/h3-7,12,14H,8-9,11H2,1-2H3
InChIKeyCOUURHFYTYZYPU-UHFFFAOYSA-N
XLogP1.46
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(2,4-dimethylpiperazin-1-yl)-2-phenylethanone
CID 103814599
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one
CID 114028861
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-phenylbutan-1-one
CID 80504911
4-benzhydryl-1-(3,3-diphenylpropanoyl)piperazine-2-carbonitrile
CID 69378274
1-[(2S)-4-methyl-2-propan-2-ylpyrrolidin-1-yl]-2-phenylpropan-1-one
CID 146518635
1-(2-fluoro-4-hydroxybenzoyl)-4-methylpiperazine-2-carbonitrile
CID 86802119
6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122112962
(2R)-2-amino-1-(4-methyl-2-phenylpiperazin-1-yl)propan-1-one
CID 54991398
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
(3R)-4-[(2S)-2-methoxy-2-phenylacetyl]morpholine-3-carbonitrile
CID 97347582

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile?
The IUPAC name of 4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile (CID 91649815) is 4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile.
What is the SMILES notation for 4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile?
The canonical SMILES for 4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile is CC(C(=O)N1CCN(C)CC1C#N)c1ccccc1.
What is the InChIKey of 4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile?
The InChIKey is COUURHFYTYZYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(13-6-4-3-5-7-13)15(19)18-9-8-17(2)11-14(18)10-16/h3-7,12,14H,8-9,11H2,1-2H3.
What are the key properties of 4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile?
4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-phenylpropanoyl)piperazine-2-carbonitrile is sourced from PubChem (CID 91649815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).