3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide

C11H21N3O — CID 43600174

IUPAC3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide
SMILESCC(C)=CC(=O)NCCN1CCNCC1
InChIInChI=1S/C11H21N3O/c1-10(2)9-11(15)13-5-8-14-6-3-12-4-7-14/h9,12H,3-8H2,1-2H3,(H,13,15)
InChIKeyPIRSENCLCBCXRN-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.03
Rot. Bonds4

About 3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide

3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide (PubChem CID 43600174) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide
PubChem CID43600174
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide
SMILESCC(C)=CC(=O)NCCN1CCNCC1
InChIInChI=1S/C11H21N3O/c1-10(2)9-11(15)13-5-8-14-6-3-12-4-7-14/h9,12H,3-8H2,1-2H3,(H,13,15)
InChIKeyPIRSENCLCBCXRN-UHFFFAOYSA-N
XLogP-0.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.03
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

N-[2-(1,4-diazepan-1-yl)ethyl]acetamide
CID 43162540
ethane;formaldehyde;methanamine;N-(2-piperazin-1-ylethyl)acetamide
CID 170730069
2-acetamido-N-(2-piperazin-1-ylethyl)acetamide
CID 43600274
1-ethenyl-3-(2-piperazin-1-ylethyl)urea
CID 108909147
1-[(E)-2-cyclopropylprop-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108915421
2-methoxy-N-(2-piperazin-1-ylethyl)propanamide
CID 115736805
1-[(E)-but-1-enyl]-3-(2-piperazin-1-ylethyl)urea
CID 108910627
(E)-3-(4-fluorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600198
3-methyl-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119447149
2-methoxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119446588
N,N'-bis(2-piperazin-1-ylethyl)ethanedithioamide
CID 3034507
(E)-3-(4-chlorophenyl)-N-(2-piperazin-1-ylethyl)prop-2-enamide
CID 43600248

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide?
The IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide (CID 43600174) is 3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide.
What is the SMILES notation for 3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide?
The canonical SMILES for 3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide is CC(C)=CC(=O)NCCN1CCNCC1.
What is the InChIKey of 3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide?
The InChIKey is PIRSENCLCBCXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2)9-11(15)13-5-8-14-6-3-12-4-7-14/h9,12H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide?
3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide has a molecular weight of 211.31 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperazin-1-ylethyl)but-2-enamide is sourced from PubChem (CID 43600174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).