N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide

C12H23N3O — CID 150213116

IUPACN-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C12H23N3O/c1-7-10(16)13-15-8-11(2,3)14(6)12(4,5)9-15/h7H,1,8-9H2,2-6H3,(H,13,16)
InChIKeyFRXHRVAASKJAFO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.01
Rot. Bonds2

About N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide

N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide (PubChem CID 150213116) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
PubChem CID150213116
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C12H23N3O/c1-7-10(16)13-15-8-11(2,3)14(6)12(4,5)9-15/h7H,1,8-9H2,2-6H3,(H,13,16)
InChIKeyFRXHRVAASKJAFO-UHFFFAOYSA-N
XLogP1.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpiperazin-1-yl)prop-2-enamide
CID 13628884
N-[4-(prop-2-enoylamino)piperazin-1-yl]prop-2-enamide
CID 18678965
N'-tert-butyl-N-propylprop-2-enehydrazide
CID 53914607
Diethyl-(prop-2-enoylamino)-propylazanium
CID 87994834
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
2-methyl-N-[3,3,5,5-tetramethyl-4-(2-methylprop-2-enoyl)piperazin-1-yl]prop-2-enamide
CID 139944538
(E)-N-(3,3,5,5-tetramethylpiperazin-1-yl)but-2-enamide
CID 139944539
N-(2,2,6,6-tetramethylpiperazin-1-yl)prop-2-enamide
CID 151497719
N-(3,3,5,5-tetramethylpiperazin-1-yl)prop-2-enamide
CID 156139048
2-methyl-N-(4-methylpiperazin-1-yl)-2-(prop-2-enoylamino)propanamide
CID 171816274
N-(4-ethylpiperazin-1-yl)prop-2-enamide
CID 175942150

Frequently Asked Questions

What is the IUPAC name of N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide?
The IUPAC name of N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide (CID 150213116) is N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide.
What is the SMILES notation for N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide?
The canonical SMILES for N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide is C=CC(=O)NN1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide?
The InChIKey is FRXHRVAASKJAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-7-10(16)13-15-8-11(2,3)14(6)12(4,5)9-15/h7H,1,8-9H2,2-6H3,(H,13,16).
What are the key properties of N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide?
N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide has a molecular weight of 225.34 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4,5,5-pentamethylpiperazin-1-yl)prop-2-enamide is sourced from PubChem (CID 150213116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).