N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide

C15H26N4O2 — CID 24730450

IUPACN-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC1C(=O)N2CCCC2)CC=C
InChIInChI=1S/C15H26N4O2/c1-3-7-17-10-11-19(15(21)16-4-2)13(12-17)14(20)18-8-5-6-9-18/h3,13H,1,4-12H2,2H3,(H,16,21)
InChIKeyWSTBYLMQVYFJPH-UHFFFAOYSA-N
MW294.39 g/mol
LogP0.40
Rot. Bonds4

About N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide

N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide (PubChem CID 24730450) has the molecular formula C15H26N4O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
PubChem CID24730450
Molecular FormulaC15H26N4O2
Molecular Weight294.39 g/mol
Exact Mass294.21
IUPAC NameN-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(CC1C(=O)N2CCCC2)CC=C
InChIInChI=1S/C15H26N4O2/c1-3-7-17-10-11-19(15(21)16-4-2)13(12-17)14(20)18-8-5-6-9-18/h3,13H,1,4-12H2,2H3,(H,16,21)
InChIKeyWSTBYLMQVYFJPH-UHFFFAOYSA-N
XLogP0.40
TPSA55.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity393

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide (CID 24730450) is N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide is CCNC(=O)N1CCN(CC1C(=O)N2CCCC2)CC=C.
What is the InChIKey of N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide?
The InChIKey is WSTBYLMQVYFJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-7-17-10-11-19(15(21)16-4-2)13(12-17)14(20)18-8-5-6-9-18/h3,13H,1,4-12H2,2H3,(H,16,21).
What are the key properties of N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide?
N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-prop-2-enyl-2-(pyrrolidine-1-carbonyl)piperazine-1-carboxamide is sourced from PubChem (CID 24730450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).