N-butyl-3-piperazin-1-ylprop-2-enamide

C11H21N3O — CID 54102385

IUPACN-butyl-3-piperazin-1-ylprop-2-enamide
SMILESCCCCNC(=O)C=CN1CCNCC1
InChIInChI=1S/C11H21N3O/c1-2-3-5-13-11(15)4-8-14-9-6-12-7-10-14/h4,8,12H,2-3,5-7,9-10H2,1H3,(H,13,15)
InChIKeyNBKONSFJCBLQRA-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.32
Rot. Bonds5

About N-butyl-3-piperazin-1-ylprop-2-enamide

N-butyl-3-piperazin-1-ylprop-2-enamide (PubChem CID 54102385) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-butyl-3-piperazin-1-ylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-3-piperazin-1-ylprop-2-enamide
PubChem CID54102385
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-butyl-3-piperazin-1-ylprop-2-enamide
SMILESCCCCNC(=O)C=CN1CCNCC1
InChIInChI=1S/C11H21N3O/c1-2-3-5-13-11(15)4-8-14-9-6-12-7-10-14/h4,8,12H,2-3,5-7,9-10H2,1H3,(H,13,15)
InChIKeyNBKONSFJCBLQRA-UHFFFAOYSA-N
XLogP0.32
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-piperazin-1-ylprop-2-enamide?
The IUPAC name of N-butyl-3-piperazin-1-ylprop-2-enamide (CID 54102385) is N-butyl-3-piperazin-1-ylprop-2-enamide.
What is the SMILES notation for N-butyl-3-piperazin-1-ylprop-2-enamide?
The canonical SMILES for N-butyl-3-piperazin-1-ylprop-2-enamide is CCCCNC(=O)C=CN1CCNCC1.
What is the InChIKey of N-butyl-3-piperazin-1-ylprop-2-enamide?
The InChIKey is NBKONSFJCBLQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-3-5-13-11(15)4-8-14-9-6-12-7-10-14/h4,8,12H,2-3,5-7,9-10H2,1H3,(H,13,15).
What are the key properties of N-butyl-3-piperazin-1-ylprop-2-enamide?
N-butyl-3-piperazin-1-ylprop-2-enamide has a molecular weight of 211.31 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-piperazin-1-ylprop-2-enamide is sourced from PubChem (CID 54102385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).