3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione

C20H28N4O2 — CID 177362904

IUPAC3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione
SMILESCC/C=C(/c1cccc(N2CCNCC2)c1NC)C1CCC(=O)NC1=O
InChIInChI=1S/C20H28N4O2/c1-3-5-14(16-8-9-18(25)23-20(16)26)15-6-4-7-17(19(15)21-2)24-12-10-22-11-13-24/h4-7,16,21-22H,3,8-13H2,1-2H3,(H,23,25,26)/b14-5-
InChIKeyNNCXCLGTCBGKFV-RZNTYIFUSA-N
MW356.47 g/mol
LogP1.98
Rot. Bonds5

About 3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione

3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione (PubChem CID 177362904) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione
PubChem CID177362904
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione
SMILESCC/C=C(/c1cccc(N2CCNCC2)c1NC)C1CCC(=O)NC1=O
InChIInChI=1S/C20H28N4O2/c1-3-5-14(16-8-9-18(25)23-20(16)26)15-6-4-7-17(19(15)21-2)24-12-10-22-11-13-24/h4-7,16,21-22H,3,8-13H2,1-2H3,(H,23,25,26)/b14-5-
InChIKeyNNCXCLGTCBGKFV-RZNTYIFUSA-N
XLogP1.98
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-piperazin-1-ylanilino)piperidine-2,6-dione
CID 168896759
1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475
3-[3-[2-(3,3-difluoropiperidin-1-yl)ethyl]-2-(methylamino)benzenecarboximidoyl]piperidine-2,6-dione
CID 176933242
N-methyl-2-piperazin-1-ylbenzamide;dihydrochloride
CID 140869989
N-(2,6-dioxopiperidin-3-yl)-2-(6-piperazin-1-yl-2-pyridinyl)acetamide
CID 155218184
2-piperazin-1-ylbenzoyl bromide
CID 141087423
tert-butyl 4-[3-[3-(2,6-dioxopiperidine-3-carboximidoyl)-2-(methylamino)phenyl]prop-2-ynoxy]piperidine-1-carboxylate
CID 177072798
N-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-[4-(piperazin-1-ylmethyl)piperidin-1-yl]benzamide
CID 166514379
N-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide
CID 168992484
3-(6-piperazin-1-ylbenzo[e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 167237945
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione?
The IUPAC name of 3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione (CID 177362904) is 3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione?
The canonical SMILES for 3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione is CC/C=C(/c1cccc(N2CCNCC2)c1NC)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione?
The InChIKey is NNCXCLGTCBGKFV-RZNTYIFUSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-3-5-14(16-8-9-18(25)23-20(16)26)15-6-4-7-17(19(15)21-2)24-12-10-22-11-13-24/h4-7,16,21-22H,3,8-13H2,1-2H3,(H,23,25,26)/b14-5-.
What are the key properties of 3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione?
3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione has a molecular weight of 356.47 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1-[2-(methylamino)-3-piperazin-1-ylphenyl]but-1-enyl]piperidine-2,6-dione is sourced from PubChem (CID 177362904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).