2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile

C14H23N3O2 — CID 65156463

IUPAC2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile
SMILESCC(C)(C#N)N1CCN(C(=O)CC2CCCO2)CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,11-15)17-7-5-16(6-8-17)13(18)10-12-4-3-9-19-12/h12H,3-10H2,1-2H3
InChIKeyNBBJVAGABBLNAX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.00
Rot. Bonds3

About 2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile

2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile (PubChem CID 65156463) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile
PubChem CID65156463
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile
SMILESCC(C)(C#N)N1CCN(C(=O)CC2CCCO2)CC1
InChIInChI=1S/C14H23N3O2/c1-14(2,11-15)17-7-5-16(6-8-17)13(18)10-12-4-3-9-19-12/h12H,3-10H2,1-2H3
InChIKeyNBBJVAGABBLNAX-UHFFFAOYSA-N
XLogP1.00
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-cyclopentylacetyl)piperazin-1-yl]-2-methylpropanenitrile
CID 60692896
1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110629424
1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-[(2R)-oxolan-2-yl]ethanone
CID 95340624
2-[4-[2-[(2R)-oxolan-2-yl]acetyl]-1,4-diazepan-1-yl]benzonitrile
CID 94115032
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 119260620
2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile
CID 112723615
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
4-[[4-[2-[(2S)-oxolan-2-yl]acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 94112792
acetonitrile;2-(oxolan-2-yl)acetic acid
CID 67212386
1-(3-bromopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 80660576
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
1-[2-(aminomethyl)morpholin-4-yl]-2-(oxolan-2-yl)ethanone
CID 65152128

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile (CID 65156463) is 2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile is CC(C)(C#N)N1CCN(C(=O)CC2CCCO2)CC1.
What is the InChIKey of 2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile?
The InChIKey is NBBJVAGABBLNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,11-15)17-7-5-16(6-8-17)13(18)10-12-4-3-9-19-12/h12H,3-10H2,1-2H3.
What are the key properties of 2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile?
2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile has a molecular weight of 265.36 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]propanenitrile is sourced from PubChem (CID 65156463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).