5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile

C14H21N5O — CID 136543974

IUPAC5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile
SMILESCCN1CCN(C(=O)CCCC#N)CC1c1ncc[nH]1
InChIInChI=1S/C14H21N5O/c1-2-18-9-10-19(13(20)5-3-4-6-15)11-12(18)14-16-7-8-17-14/h7-8,12H,2-5,9-11H2,1H3,(H,16,17)
InChIKeyAXVVUEMNPDCJOX-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.31
Rot. Bonds5

About 5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile

5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile (PubChem CID 136543974) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile.

Molecular Properties

Compound Name5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile
PubChem CID136543974
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile
SMILESCCN1CCN(C(=O)CCCC#N)CC1c1ncc[nH]1
InChIInChI=1S/C14H21N5O/c1-2-18-9-10-19(13(20)5-3-4-6-15)11-12(18)14-16-7-8-17-14/h7-8,12H,2-5,9-11H2,1H3,(H,16,17)
InChIKeyAXVVUEMNPDCJOX-UHFFFAOYSA-N
XLogP1.31
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-4-methoxybutan-1-one
CID 129331737
1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxypropan-1-one
CID 129334597
3-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 129336485
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129330524
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129329869
(2S)-1-[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-3-methoxy-2-methylpropan-1-one
CID 129341216
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 128992146
1-ethyl-4-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 128972958
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129338090
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129329971
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 129006467

Frequently Asked Questions

What is the IUPAC name of 5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile?
The IUPAC name of 5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile (CID 136543974) is 5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile.
What is the SMILES notation for 5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile?
The canonical SMILES for 5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile is CCN1CCN(C(=O)CCCC#N)CC1c1ncc[nH]1.
What is the InChIKey of 5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile?
The InChIKey is AXVVUEMNPDCJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-2-18-9-10-19(13(20)5-3-4-6-15)11-12(18)14-16-7-8-17-14/h7-8,12H,2-5,9-11H2,1H3,(H,16,17).
What are the key properties of 5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile?
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile has a molecular weight of 275.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-5-oxopentanenitrile is sourced from PubChem (CID 136543974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).