2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide

C10H19N3O — CID 66782605

IUPAC2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(C)N1CCNCC1
InChIInChI=1S/C10H19N3O/c1-8(2)10(14)12-9(3)13-6-4-11-5-7-13/h9,11H,1,4-7H2,2-3H3,(H,12,14)
InChIKeyWVXXZXXBZIPZIE-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.07
Rot. Bonds3

About 2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide

2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide (PubChem CID 66782605) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide
PubChem CID66782605
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide
SMILESC=C(C)C(=O)NC(C)N1CCNCC1
InChIInChI=1S/C10H19N3O/c1-8(2)10(14)12-9(3)13-6-4-11-5-7-13/h9,11H,1,4-7H2,2-3H3,(H,12,14)
InChIKeyWVXXZXXBZIPZIE-UHFFFAOYSA-N
XLogP-0.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.07
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-(5-piperazin-1-ylpentyl)prop-2-enamide
CID 18464110
N-(1-piperazin-1-ylethyl)formamide
CID 87225423
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
N-(4-methylsulfinylbutan-2-yl)-2-piperazin-1-ylpropanamide
CID 113493593
methyl 2-(2-piperazin-1-ylpropanoylamino)propanoate
CID 54960724
ethene;1-piperazin-1-ylethanone
CID 145071339
N-(1-morpholin-4-ylethyl)acetamide
CID 20786322
(2R)-N,N-dimethyl-2-piperazin-1-ylpropanamide
CID 28906098
(E)-but-2-enedioic acid;1-propan-2-ylpiperazine
CID 70108433
3-piperazin-1-ylpentan-2-one
CID 68969032
1-propan-2-ylpiperazine;vanadium
CID 162375922

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide (CID 66782605) is 2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide is C=C(C)C(=O)NC(C)N1CCNCC1.
What is the InChIKey of 2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide?
The InChIKey is WVXXZXXBZIPZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)10(14)12-9(3)13-6-4-11-5-7-13/h9,11H,1,4-7H2,2-3H3,(H,12,14).
What are the key properties of 2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide?
2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-piperazin-1-ylethyl)prop-2-enamide is sourced from PubChem (CID 66782605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).