N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide

C11H21N3O — CID 112724016

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-3-4-11(15)12-5-6-14-9-7-13(2)8-10-14/h3-4H,5-10H2,1-2H3,(H,12,15)
InChIKeyQYCLEZMSPMJPNU-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.07
Rot. Bonds4

About N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide

N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide (PubChem CID 112724016) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide
PubChem CID112724016
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide
SMILESCC=CC(=O)NCCN1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-3-4-11(15)12-5-6-14-9-7-13(2)8-10-14/h3-4H,5-10H2,1-2H3,(H,12,15)
InChIKeyQYCLEZMSPMJPNU-UHFFFAOYSA-N
XLogP-0.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.07
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

(E)-N-(4-pyrrolidin-1-ylbutyl)but-2-enamide
CID 110459707
N-[2-(4-methylpiperazin-1-yl)ethyl]carbamoyl iodide
CID 138462768
1-methyl-3-[2-(4-methylpiperazin-1-yl)ethyl]urea
CID 59006454
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
3-[2-(4-methylpiperazin-1-yl)ethylamino]-3-oxopropanoic acid
CID 62230217
2-(methylamino)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 60925043
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
N-(2-aminoethyl)-N'-[2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 54861073
4-[2-(azepan-1-yl)ethylamino]-4-oxobut-2-enoic acid
CID 61241160
(E)-4-oxo-4-(2-piperidin-1-ylethylamino)but-2-enoic acid
CID 94229293
N-[2-(4-ethylpiperazin-1-yl)ethyl]-N'-(1-methylpiperidin-4-yl)pent-2-enediamide
CID 123491361
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79285589

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide (CID 112724016) is N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide is CC=CC(=O)NCCN1CCN(C)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide?
The InChIKey is QYCLEZMSPMJPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-4-11(15)12-5-6-14-9-7-13(2)8-10-14/h3-4H,5-10H2,1-2H3,(H,12,15).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide has a molecular weight of 211.31 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]but-2-enamide is sourced from PubChem (CID 112724016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).