1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone

C10H19N3O — CID 28563516

IUPAC1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H19N3O/c1-3-4-11-9-10(14)13-7-5-12(2)6-8-13/h3,11H,1,4-9H2,2H3
InChIKeyNBTLFFLAVXZLLA-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.46
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone

1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone (PubChem CID 28563516) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone
PubChem CID28563516
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone
SMILESC=CCNCC(=O)N1CCN(C)CC1
InChIInChI=1S/C10H19N3O/c1-3-4-11-9-10(14)13-7-5-12(2)6-8-13/h3,11H,1,4-9H2,2H3
InChIKeyNBTLFFLAVXZLLA-UHFFFAOYSA-N
XLogP-0.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N~1~,N~2~-diallylethanediamide
CID 241033
2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
3-Methyl-1-(prop-2-en-1-yl)piperazin-2-one
CID 20099299
1-(4-Allyl-piperazin-1-yl)-2-amino-ethanone dihydrochloride
CID 44890715
2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 3229462
Piperazine, 1-acetyl-4-(2-propenyl)-
CID 17147468
N-methyl-2-[(prop-2-en-1-yl)amino]acetamide
CID 28563374
1-(2,5-Dimethylpiperazin-1-yl)prop-2-en-1-one
CID 64979937
2-(dimethylamino)-N-prop-2-enylacetamide
CID 19362079
2-(methylamino)-N,N-bis(prop-2-enyl)acetamide
CID 24694747
2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide
CID 113158100

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone (CID 28563516) is 1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone is C=CCNCC(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone?
The InChIKey is NBTLFFLAVXZLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-4-11-9-10(14)13-7-5-12(2)6-8-13/h3,11H,1,4-9H2,2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone?
1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone has a molecular weight of 197.28 g/mol, XLogP of -0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-(prop-2-enylamino)ethanone is sourced from PubChem (CID 28563516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).