N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide

C12H24N4O — CID 79285589

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C12H24N4O/c1-3-4-13-11-12(17)14-5-6-16-9-7-15(2)8-10-16/h3,13H,1,4-11H2,2H3,(H,14,17)
InChIKeyUYACHUAYTNDDQY-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.87
Rot. Bonds7

About N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide (PubChem CID 79285589) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
PubChem CID79285589
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C12H24N4O/c1-3-4-13-11-12(17)14-5-6-16-9-7-15(2)8-10-16/h3,13H,1,4-11H2,2H3,(H,14,17)
InChIKeyUYACHUAYTNDDQY-UHFFFAOYSA-N
XLogP-0.87
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
N-[2-(dimethylcarbamoylamino)ethyl]-2-(prop-2-enylamino)acetamide
CID 83110912
N-[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl iodide
CID 138462768
N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 54861073
ethane;4-methoxy-N-[2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 170620948
6-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxoheptanamide
CID 140937076
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 54860825
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 59006454
N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide
CID 112724016
2-(cyclopropylmethylamino)-N-[3-(4-methylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901090
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide (CID 79285589) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NCCN1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is UYACHUAYTNDDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-3-4-13-11-12(17)14-5-6-16-9-7-15(2)8-10-16/h3,13H,1,4-11H2,2H3,(H,14,17).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 240.35 g/mol, XLogP of -0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79285589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).