4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane

C12H23N3O — CID 144883336

IUPAC4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane
SMILESCCC.CN1CCN(C(=O)CCC#N)CC1
InChIInChI=1S/C9H15N3O.C3H8/c1-11-5-7-12(8-6-11)9(13)3-2-4-10;1-3-2/h2-3,5-8H2,1H3;3H2,1-2H3
InChIKeyVZKXAOSBJVBYOC-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.48
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane

4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane (PubChem CID 144883336) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane
PubChem CID144883336
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane
SMILESCCC.CN1CCN(C(=O)CCC#N)CC1
InChIInChI=1S/C9H15N3O.C3H8/c1-11-5-7-12(8-6-11)9(13)3-2-4-10;1-3-2/h2-3,5-8H2,1H3;3H2,1-2H3
InChIKeyVZKXAOSBJVBYOC-UHFFFAOYSA-N
XLogP1.48
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperazine, 4-methyl-1-propionyl-
CID 114361
Piperazine, 1,4-dibutyryl-
CID 205276
3-(4-Ethylpiperazin-1-yl)-3-oxopropanenitrile
CID 2345029
3-(4-Methylpiperazin-1-yl)-3-oxopropanenitrile
CID 2345031
Piperazine, 1-methyl-4-(1-oxobutyl)-
CID 4063621
3-(4-Isopropylpiperazin-1-yl)-3-oxopropanenitrile
CID 43585403
4-[4-(2,2-Dimethylpropanoyl)piperazin-1-yl]butanenitrile
CID 60499069
1-(4-Ethylpiperazin-1-yl)propan-1-one
CID 3352129
Piperazine, 1-ethyl-4-(1-oxobutyl)-
CID 4672750
1-(4-Propan-2-ylpiperazin-1-yl)butan-1-one
CID 57709519
1-(4-Propylpiperazin-1-yl)butan-1-one
CID 60644705
5-(2-Oxopiperidino)valeronitrile
CID 11412726

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane (CID 144883336) is 4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane is CCC.CN1CCN(C(=O)CCC#N)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane?
The InChIKey is VZKXAOSBJVBYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.C3H8/c1-11-5-7-12(8-6-11)9(13)3-2-4-10;1-3-2/h2-3,5-8H2,1H3;3H2,1-2H3.
What are the key properties of 4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane?
4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane has a molecular weight of 225.34 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-4-oxobutanenitrile;propane is sourced from PubChem (CID 144883336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).