2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide

C15H28N4O2 — CID 60722482

IUPAC2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C15H28N4O2/c1-13(14(20)17-6-5-11-21-4)18-7-9-19(10-8-18)15(2,3)12-16/h13H,5-11H2,1-4H3,(H,17,20)
InChIKeyOFMKQMVEMGYICG-UHFFFAOYSA-N
MW296.42 g/mol
LogP0.45
Rot. Bonds7

About 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide

2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 60722482) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID60722482
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C15H28N4O2/c1-13(14(20)17-6-5-11-21-4)18-7-9-19(10-8-18)15(2,3)12-16/h13H,5-11H2,1-4H3,(H,17,20)
InChIKeyOFMKQMVEMGYICG-UHFFFAOYSA-N
XLogP0.45
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide
CID 60681867
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 95311991
N-(3-methoxypropyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]propanamide
CID 120704343
2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 55201383
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 63847171
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(3-methoxypropyl)propanamide
CID 107160661
2-[4-(4-amino-3-methoxybutanoyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 120596528
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 103577229
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(3-methoxypropyl)propanamide
CID 115873942
2-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]sulfinyl-2-methylpropanoic acid
CID 81228082
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide;dihydrochloride
CID 119877454
2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile
CID 60681866

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide (CID 60722482) is 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=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-(3-methoxypropyl)propanamide?
The InChIKey is OFMKQMVEMGYICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-13(14(20)17-6-5-11-21-4)18-7-9-19(10-8-18)15(2,3)12-16/h13H,5-11H2,1-4H3,(H,17,20).
What are the key properties of 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide?
2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 296.42 g/mol, XLogP of 0.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 60722482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).