2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide

C12H22N4O2 — CID 55201383

IUPAC2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CCN(CC#N)CC1
InChIInChI=1S/C12H22N4O2/c1-11(12(17)14-4-10-18-2)16-8-6-15(5-3-13)7-9-16/h11H,4-10H2,1-2H3,(H,14,17)
InChIKeyMIPPFJURLZQMPZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP-0.72
Rot. Bonds6

About 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide

2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 55201383) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
PubChem CID55201383
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N1CCN(CC#N)CC1
InChIInChI=1S/C12H22N4O2/c1-11(12(17)14-4-10-18-2)16-8-6-15(5-3-13)7-9-16/h11H,4-10H2,1-2H3,(H,14,17)
InChIKeyMIPPFJURLZQMPZ-UHFFFAOYSA-N
XLogP-0.72
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-[4-(cyanomethyl)piperazin-1-yl]propanamide
CID 55201574
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-N-(2-methoxyethyl)propanamide
CID 43252719
(2R)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 30722149
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184
2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55201576
2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 60722482
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 95311991
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide
CID 83284147
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylpropyl)propanamide
CID 55432632
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-methoxyethyl)propanamide
CID 115302045
2-[4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 24513106
2-[1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]piperidin-4-yl]oxyacetic acid
CID 63902809

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide (CID 55201383) is 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N1CCN(CC#N)CC1.
What is the InChIKey of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is MIPPFJURLZQMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-11(12(17)14-4-10-18-2)16-8-6-15(5-3-13)7-9-16/h11H,4-10H2,1-2H3,(H,14,17).
What are the key properties of 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide?
2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 254.33 g/mol, XLogP of -0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)piperazin-1-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 55201383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).