2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide

C12H22N4O — CID 60681867

IUPAC2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C12H22N4O/c1-10(11(17)14-4)15-5-7-16(8-6-15)12(2,3)9-13/h10H,5-8H2,1-4H3,(H,14,17)
InChIKeyMOHSOQYRRNMYHH-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.04
Rot. Bonds3

About 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide

2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide (PubChem CID 60681867) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide
PubChem CID60681867
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)C(C)N1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C12H22N4O/c1-10(11(17)14-4)15-5-7-16(8-6-15)12(2,3)9-13/h10H,5-8H2,1-4H3,(H,14,17)
InChIKeyMOHSOQYRRNMYHH-UHFFFAOYSA-N
XLogP0.04
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4,7-bis[(2R)-1-(methylamino)-1-oxopropan-2-yl]-1,4,7-triazonan-1-yl]-N-methylpropanamide
CID 177439425
2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 60722482
2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile
CID 60681866
2-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 75790691
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63341284
2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-methylpropanamide
CID 63336256
2-methyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]propanenitrile
CID 112723615
N-tert-butyl-2-(4-cyano-4-methylpiperidin-1-yl)propanamide
CID 113362974
4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 79161762
2-[4-(1-cyanopropyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 63338955
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 63310069
2-[4-(1-aminopentan-3-yl)piperazin-1-yl]-N-methylpropanamide
CID 43253225

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide (CID 60681867) is 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide is CNC(=O)C(C)N1CCN(C(C)(C)C#N)CC1.
What is the InChIKey of 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide?
The InChIKey is MOHSOQYRRNMYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(11(17)14-4)15-5-7-16(8-6-15)12(2,3)9-13/h10H,5-8H2,1-4H3,(H,14,17).
What are the key properties of 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide?
2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 60681867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).