(E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile

C15H24N4O — CID 129273118

IUPAC(E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile
SMILESCC(C)(/C=C(\C#N)C(=O)N1CCCC1)N1CCNCC1
InChIInChI=1S/C15H24N4O/c1-15(2,19-9-5-17-6-10-19)11-13(12-16)14(20)18-7-3-4-8-18/h11,17H,3-10H2,1-2H3/b13-11+
InChIKeyUZGZZFLONVGZNW-ACCUITESSA-N
MW276.38 g/mol
LogP0.74
Rot. Bonds3

About (E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile

(E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile (PubChem CID 129273118) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile.

Molecular Properties

Compound Name(E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile
PubChem CID129273118
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile
SMILESCC(C)(/C=C(\C#N)C(=O)N1CCCC1)N1CCNCC1
InChIInChI=1S/C15H24N4O/c1-15(2,19-9-5-17-6-10-19)11-13(12-16)14(20)18-7-3-4-8-18/h11,17H,3-10H2,1-2H3/b13-11+
InChIKeyUZGZZFLONVGZNW-ACCUITESSA-N
XLogP0.74
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-methyl-4-piperidin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile
CID 144566209
(E)-4-ethoxy-4-methyl-2-(piperidine-1-carbonyl)pent-2-enenitrile
CID 134606886
(Z)-3-(tert-butylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862197
2-[(2R)-2-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile
CID 151984465
(E)-2-(3-acetylpiperidine-1-carbonyl)-4,4-dimethylpent-2-enenitrile
CID 170620456
2-[(3S)-3-[6-amino-8-oxo-7-(4-phenoxyphenyl)purin-9-yl]piperidine-1-carbonyl]-4-methyl-4-piperazin-1-ylpent-2-enenitrile
CID 122511800
(Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108819820
(Z)-3-(cycloheptylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108820032
1-[(Z)-2-cyano-3-oxo-3-piperazin-1-ylprop-1-enyl]piperidine-4-carboxylic acid
CID 108819822
4-(3,3-difluoropyrrolidin-1-yl)-2-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-4-methylpent-2-enenitrile
CID 150373605
(Z)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108820016
(Z)-3-(N-methylanilino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108819929

Frequently Asked Questions

What is the IUPAC name of (E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile?
The IUPAC name of (E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile (CID 129273118) is (E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile.
What is the SMILES notation for (E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile?
The canonical SMILES for (E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile is CC(C)(/C=C(\C#N)C(=O)N1CCCC1)N1CCNCC1.
What is the InChIKey of (E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile?
The InChIKey is UZGZZFLONVGZNW-ACCUITESSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,19-9-5-17-6-10-19)11-13(12-16)14(20)18-7-3-4-8-18/h11,17H,3-10H2,1-2H3/b13-11+.
What are the key properties of (E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile?
(E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile has a molecular weight of 276.38 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-methyl-4-piperazin-1-yl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile is sourced from PubChem (CID 129273118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).