2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C17H29N3O2 — CID 94759249

IUPAC2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCN(C[C@H]2CCCO2)CC1
InChIInChI=1S/C17H29N3O2/c1-3-7-20(8-4-2)17(21)15-19-11-9-18(10-12-19)14-16-6-5-13-22-16/h3-4,16H,1-2,5-15H2/t16-/m1/s1
InChIKeyPVBQPOPRELBLBI-MRXNPFEDSA-N
MW307.44 g/mol
LogP0.98
Rot. Bonds8

About 2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 94759249) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID94759249
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCN(C[C@H]2CCCO2)CC1
InChIInChI=1S/C17H29N3O2/c1-3-7-20(8-4-2)17(21)15-19-11-9-18(10-12-19)14-16-6-5-13-22-16/h3-4,16H,1-2,5-15H2/t16-/m1/s1
InChIKeyPVBQPOPRELBLBI-MRXNPFEDSA-N
XLogP0.98
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 94759249) is 2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCN(C[C@H]2CCCO2)CC1.
What is the InChIKey of 2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is PVBQPOPRELBLBI-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-3-7-20(8-4-2)17(21)15-19-11-9-18(10-12-19)14-16-6-5-13-22-16/h3-4,16H,1-2,5-15H2/t16-/m1/s1.
What are the key properties of 2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 307.44 g/mol, XLogP of 0.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 94759249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).