4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide

C14H25N5O2 — CID 47028760

IUPAC4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CC(=O)NCCC#N)CC1
InChIInChI=1S/C14H25N5O2/c1-3-18(4-2)14(21)19-10-8-17(9-11-19)12-13(20)16-7-5-6-15/h3-5,7-12H2,1-2H3,(H,16,20)
InChIKeyBLLZISAIJRIORN-UHFFFAOYSA-N
MW295.39 g/mol
LogP0.10
Rot. Bonds6

About 4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide

4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide (PubChem CID 47028760) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
PubChem CID47028760
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(CC(=O)NCCC#N)CC1
InChIInChI=1S/C14H25N5O2/c1-3-18(4-2)14(21)19-10-8-17(9-11-19)12-13(20)16-7-5-6-15/h3-5,7-12H2,1-2H3,(H,16,20)
InChIKeyBLLZISAIJRIORN-UHFFFAOYSA-N
XLogP0.10
TPSA79.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]acetamide
CID 63339386
N,N-diethyl-4-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperazine-1-carboxamide
CID 37192477
4-[2-[[(1S)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide
CID 37193746
4-(2-amino-2-sulfanylideneethyl)-N,N-diethylpiperazine-1-carboxamide
CID 79161963
N,N-diethyl-4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]piperazine-1-carboxamide
CID 37193198
ethyl 1-[2-(2-cyanoethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 34681202
2-[1-[2-(2-cyanoethylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683710
4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 79161762
4-(2-chloro-2-cyanoethyl)-N,N-diethylpiperazine-1-carboxamide
CID 110190553
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 46673146
N-(2-cyanoethyl)butanamide
CID 14899794
N-(2-cyanoethyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 18124456

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide (CID 47028760) is 4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(CC(=O)NCCC#N)CC1.
What is the InChIKey of 4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is BLLZISAIJRIORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-3-18(4-2)14(21)19-10-8-17(9-11-19)12-13(20)16-7-5-6-15/h3-5,7-12H2,1-2H3,(H,16,20).
What are the key properties of 4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide?
4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyanoethylamino)-2-oxoethyl]-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 47028760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).