(E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide

C12H23N3O — CID 139944539

IUPAC(E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide
SMILESC/C=C/C(=O)NN1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H23N3O/c1-6-7-10(16)13-15-8-11(2,3)14-12(4,5)9-15/h6-7,14H,8-9H2,1-5H3,(H,13,16)/b7-6+
InChIKeyOXVOPLGNOKXUGU-VOTSOKGWSA-N
MW225.34 g/mol
LogP1.06
Rot. Bonds2

About (E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide

(E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide (PubChem CID 139944539) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide
PubChem CID139944539
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide
SMILESC/C=C/C(=O)NN1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C12H23N3O/c1-6-7-10(16)13-15-8-11(2,3)14-12(4,5)9-15/h6-7,14H,8-9H2,1-5H3,(H,13,16)/b7-6+
InChIKeyOXVOPLGNOKXUGU-VOTSOKGWSA-N
XLogP1.06
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
CID 139944535
2-methyl-N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
CID 139944536
(E)-4-(4-methylpiperazin-1-yl)but-2-enehydrazide
CID 144832735
N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
CID 150213116
N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide
CID 151497719
N-piperidin-1-ylbut-2-enamide
CID 153739102
N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
CID 156139048
N-piperazin-1-ylpent-2-enamide
CID 173539741
2-[2-(tert-butylamino)ethyl]-1H-pyridazine-3,6-dione
CID 61387004
(E)-N-piperidin-1-ylbut-2-enamide
CID 78907910
(E)-N-(4-methylpiperazin-1-yl)but-2-enamide
CID 78911890
3-methyl-N-(4-methylpiperazin-1-yl)but-2-enamide
CID 84367831

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide?
The IUPAC name of (E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide (CID 139944539) is (E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide?
The canonical SMILES for (E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide is C/C=C/C(=O)NN1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide?
The InChIKey is OXVOPLGNOKXUGU-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H23N3O/c1-6-7-10(16)13-15-8-11(2,3)14-12(4,5)9-15/h6-7,14H,8-9H2,1-5H3,(H,13,16)/b7-6+.
What are the key properties of (E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide?
(E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide has a molecular weight of 225.34 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide is sourced from PubChem (CID 139944539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).